Journal Articles (in chronological order)

2021

Improving hydrogen evolution reaction performance by combining ditungsten carbide and nitrogen-doped graphene: A first-principles study
Bo Zhang, Xiuli Fu*, Li Song, Xiaojun Wu*
Carbon 2021, 172, 122-131 [DOI: 0.1016/j.carbon.2020.10.003]
Red Phosphorous-Derived Protective Layers with High Ionic Conductivity and Mechanical Strength on Dendrite-Free Sodium and Potassium Metal Anodes
Pengcheng Shi, Shipeng Zhang, Gongxun Lu, Lifeng Wang, Yu Jiang, Fanfan Liu, Yu Yao, Hai Yang, Mingze Ma, Shufen Ye, Xinyong Tao, Yuezhan Feng, Xiaojun Wu, Xianhong Rui*, Yan Yu*
Advanced Energy Materials 2021, 11, 2003381 [DOI: 10.1002/aenm.202003381]
Superconducting properties and topological nodal lines features in centrosymmetric Sn0.5TaSe2
Mukhtar L. Adam, Zhanfeng Liu, Oyawale A. Moses, Xiaojun Wu*, Li Song*
Nano Research 2021, ?? , ?? [DOI: 10.1007/s12274-020-3262-2]

2020

Surface selectivity of Ni3S2 toward hydrogen evolution reaction: a first-principles study
Bo Zhang, Xiuli Fu*, Li Song, Xiaojun Wu*
Physical Chemistry Chemical Physics 2020, 22, 25685-25694 [DOI: 10.1039/d0cp03845h]
Unraveling the Nature of Excellent Potassium Storage in Small-Molecule Se@Peapod-Like N-Doped Carbon Nanofibers
Rui Xu, Yu Yao, Haiyun Wang, Yifei Yuan, Jiawei Wang, Hai Yang, Yu Jiang, Pengcheng Shi, Xiaojun Wu, Zhengquan Peng, ZHong-Shuai Wu*, Jun Lu*, Yan Yu*
Advanced Materials 2020, 32, 2003879 [DOI: 10.1002/adma.202003879]
Boosting Potassium Storage by Integration Advantageous of Defect Engineering and Spatial Confinement: A Case Study of Sb2Se3
Binbin Sheng, Lifeng Wang, Huijuan Huang, Hai Yang, Rui Xu, Xiaojun Wu, Yan Yu*
Small 2020, 16, 2005272 [DOI: 10.1002/smll.202005272]
Interfacial Polarons in van der Waals Heterojunction of Monolayer SnSe2 on SrTiO3 (001)
Yahui Mao, Xiaochuan Ma, Ddaoxiong Wu, Chen Lin, Huan Shan, Xiaojun Wu, Jin Zhao, Aidi Zhao*, Bing Wang*
Nano Letters 2020, 20, 8067-8073 [DOI: 10.1021/acs.nanolett.0c02741]
Fast Lithium Ion Conductivity in Layered (Li-Ag)CrS2
Jing Peng, Yuhua Liu, Yu Pan, Jiajing Wu, Yueqi Su, Yuqiao Guo, Xiaojun Wu, Changzheng Wu*, Yi Xie
Journal of The American Chemical Society 2020, 142, 18645-18651 [DOI: 10.1021/jacs.0c08448]
Multiphonon Raman Scattering and Strong Electron-Phonon Coupling in 2D Ternary Cu2MoS4 Nanoflakes
Liang Qin, Zhilin Wen, Xiaoxian Zhang, Ke Zhang, Yunxiang Lin, Li Song*, Xiaojun Wu*, Xiaohui Qiu*
Journal of Physical Chemistry Letters 2020, 11, 8483-8489 [DOI: 10.1021/acs.jpclett.0c02530]
Black phosphorus composites with engineered interfaces for high-rate high-capacity lithium storage
Hongchang Jin, Sen Xin, Chenghao Chuang, Wangda Li, Haiyun Wang, Jiao Zhu, Huanyu Xie, Taiming Zhang, Yangyang Wan, Zhikai Qi, Wensheng Yan, Ying-Rui Lu, Ting-Shan CHan, Xiaojun Wu, John B Goodenough, Henxing Ji*, Xiangfeng Duan*
Science 2020, 370, 192-+ [DOI: 10.1126/science.aav5842]
g-C(3)N(4)Derivative Artificial Organic/Inorganic Composite Solid Electrolyte Interphase Layer for Stable Lithium Metal Anode
Shufen Ye, Lifeng Wang, Fanfan Liu, Pengcheng Shi, Haiyun Wang, Xiaojun Wu, Yan Yu*
Advanced Energy Materials 2020, 10, 2002647 [DOI: 10.1002/aenm.202002647]
Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility
Zhiwen Zhuo, Xiaojun Wu*, Jinlong Yang
Nanoscale 2020, 12, 19359-19366 [DOI: 10.1039/d0nr03869e]
Band gap engineering of monolayer ZrGeTe4 via strain: A first-principles study
Mukhatr Lawan Adam, Oyawale Adetunji Moses, Zia Ur Rehman, Zhanfeng Liu , Li Song*, Xiaojun Wu*
Materials Chemistry and Physics 2020, 253, 123308 [DOI: 10.1016/j.matchemphys.2020.123308]
Computational Screening toward Hydrogen Evolution Reaction by the Introduction of Point Defects at the Edges of Group IVA Monochalcogenides: A First-Principles Study
Bo Zhang, Xiuli Fu*, Li Song, Xiaojun Wu*
Journal of Physical Chemistry Letters 2020, 11, 7664-7671 [DOI: 10.1021/acs.jpclett.0c02047]
Integrating Conductivity, Captivity, and Immobility Ability into N/O Dual-Doped Porous Carbon Nanocage Anchored with CNT as an Effective Se Host for Advanced K-Se Battery
Xuefeng Zhou, Lifeng Wang, Yu Yao, Yu Jiang, Rui Xu, Haiyun Wang, Xiaojun Wu, Yan Yu*
Advanced Functional Materials 2020, 30, 2003871 [DOI:10.1002/adfm.202003871]
Reconstruction-Determined Alkaline Water Electrolysis at Industrial Temperatures
Xiong Liu, Ruiting Guo, Kun Ni*, Fanjie Xia, Chaojiang Niu, Bo Wen, Jiasheng Meng, Peijie Wu, Jinsong Wu*, Xiaojun Wu, Liqiang Mai*
Advanced Materials 2020, 32, 2001136 [DOI:10.1002/adma.202001136]
Modulating Benzothiadiazole-Based Covalent Organic Frameworks via Halogenation for Enhanced Photocatalytic Water Splitting
Weiben Chen, Lei Wang, Doize Mo, Feng He, Zhilin Wen, Xiaojun Wu, Hangxun Xu*, Long Chen*
Angewandte Chemie-International Edition 2020, 59, 16902-16909 [DOI:10.1002/anie.202006925]
On-Surface Synthesis of a Five-Membered Carbon Ring from a Terminal Alkynyl Bromide: A [4+1] Annulation
Tao Wang, Yu Pan, Wenzhao Zhang, James Lawrence, Mohammed S.G. Mohammed, Jianmin Huang, Lin Feng, Alejandro Berdonces-Layunta, Dong Han, Qian Xu, Xiaojun Wu*, Steven L. Tait, Dimas G. de Oteyza*, Junfa Zhu*
Journal of Physical Chemistry Letters 2020, 11, 5902-5907 [DOI:10.1021/acs.jpclett.0c01483]
Boosting the potassium storage performance of carbon anode via integration of adsorption-intercalation hybrid mechanisms
Sifan Zeng, Xingia Chen, Rui Xu, Xiaojun Wu, Yuezhan Feng, Haibin Zhang*, Shuming Peng*, Yan Yu*
Nano Energy 2020, 73, 104807 [DOI:10.1016/j.nanoen.2020.104807]
Mechanochemical-assisted synthesis of ternary Ru-Ni-S pyrite analogue for enhanced hydrogen evolution performance
Tian Jin*, Xiaofei Liu, Haiyun Wang, Xiaojun Wu, Yanfeng Zhang*
Carbon 2020, 162, 172-180 [DOI:10.1016/j.carbon.2020.02.040]
Rapid metal-free synthesis of pyridyl-functionalized conjugated microporous polymers for visible-light-driven water splitting
Zhonghua Cheng, Lei Wang, Yan He, Xingjia Chen, Xiaojun Wu, Hangxun Xu*, Yaozu Liao*, Meifang Zhu
Polymer Chemistry 2020, 11, 3393-3397 [DOI:10.1039/d0py00249f]
Solid-Solution-Based Metal Alloy Phase for Highly Reversible Lithium Metal Anode
Song Jin, Yadong Ye, Yijie Niu, Yansong Xu, Hongchang Jin, Jinxi Wang, Zhaowei Sun, Anmin Cao, Xiaojun Wu, Hengxing Ji*
Journal of The American Chemical Society 2020, 142, 8818-8826 [DOI:10.1021/jacs.0c01811]
Extended 1D defect induced magnetism in 2D MoS2 crystal
Kai Zhang, Yu Pan, Lu Wang, Wai-Ning Mei, Xiaojun Wu*
Journal of Physics-Condensed Matter 2020, 32, 215302 [DOI:10.1088/1361-648X/ab73a3]
Superior adsorption capability and excellent photocatalytic activity derived from the ferroelectric external screening effect in Bi3TiNbO9 single-crystal nanosheets
Xiaofeng Yin*, Yingjie Sun, Xiaojun Wu, Xiaoning Li, Huang Liu, Wen Gu, Wei Zou, Liuyang Zhu, Zhengping Fu*, Yalin Lu*
Catalysis Science & Technology 2020, 10, 2864-2873 [DOI:10.1039/c9cy02513h]
Heterostructures of 2D Molybdenum Dichalcogenide on 2D Nitrogen-Doped Carbon: Superior Potassium-Ion Storage and Insight into Potassium Storage Mechanism
Mingze Ma, Shipeng Zhang, Yu Yao, Haiyun Wang, Huijuan Huang, Rui Xu, Jiawei Wang, Xuefeng Zhou, Wenjing Yang, Zhangquan Peng, Xiaojun Wu, Yanglong Hou*, Yan Yu*
Advanced Materials 2020, 32, 2000958 [DOI:10.1002/adma.202000958]
A Mixed Lithium-Ion Conductive Li2S/Li2Se Protection Layer for Stable Lithium Metal Anode
Fanfan Liu, Lifeng Wang, Zhiwen Zhang, Pengcheng Shi, Yuezhan Feng, Yu Yao, Shufen Ye, Haiyun Wang, Xiaojun Wu, Yan Yu*
Advanced Functional Materials 2020, 30, 2001607 [DOI:10.1002/adfm.202001607]
A simple molecular design strategy for two-dimensional convalent organic framework capable of visble-light-driven water splitting
Yangyang Wan, Lei Wang, hangxun Xu, Xiaojun Wu*, Jinlong Yang
Journal of the American Chemical Society 2020, 142, 4508-4516 [DOI:10.1021/jacs.0c00564]
First principles study on methane reforming over Ni/TiO2(110) surface in solid oxide fuel cells under dry and wet atmospheres
Wenqiang Yang, Zhenbin Wang, Wenzhuo Tan, Ranran Peng*, Xiaojun Wu*, Yalin Lu*
Science China-Materials 2020, 63, 364-374 [DOI:10.1007/s40843-019-1218-1]
Antiferromagnetic Semimetal in Ti-Intercalated Borophene Heterobilayer
Xiuyun Zhang, Bin Xi, Yongjun Liu, Xiaojing Yao*, Xiaojun Wu
Journal of Physical Chemistry C 2020, 124, 4709-4716 [DOI:10.1021/acs.jpcc.9b10677]
Steering the electron transport properties of pyridine-functionalized fullerene derivatives in inverted perovskite solar cells: the nitrogen site matters
Bairu Li, Jieming Zhen, Yangyang Wan, Xueyong Lei, Libo Jia, Xiaojun Wu, Hualing Zeng, Muqing Chen*, Guan-Wu Wang*, Shangfeng Yang*
Journal of Materials Chemistry A 2020, 8, 3872-3881 [DOI:10.1039/c9ta12188a]
Toward high energy density all solid-state sodium batteries with excellent flexibility
Yu Yao, Zhenyao Wei, Haiyun Wang, Huijuan Huang, Yu Jiang, Xiaojun Wu, Xiayin Yao*, Zhongshuai Wu*, Yan Yu*
Advanced Energy Materials 2020, , 1903698[DOI:10.1002/aenm.201903698]
A phosphorene-like InP3 monolayer: structure, stability, and catalytic properties toward the hydrogen evolution reaction
Abdul Jalil, Zhiwen Zhuo, Zhongti Sun, Fang Wu, Chuan Wang*, Xiaojun Wu*
Journal of Materials Chemistry A 2020, 8, 1307[DOI:10.1039/C9TA08612A]
High-purity pyrrole-type FeN4 sites as a superior oxygen reduction electrocatalyst
Nan Zhang, Tianpei Zhou, Minglong Chen, Hu Feng, Ruilin Yuan, Cheng'an Zhong, Wensheng Yan, Yangchao Tian, Xiaojun Wu, Wangsheng Chu, Changzheng Wu*, Yi Xie
Energy & Enviromental Science 2020, 13, 111-118 [DOI:10.1039/C9EE03027A]
Transition from semimetal to semiconductor in ZrTe2 induced by Se substitution
Zahir Muhammad, Bo Zhang, Haifeng Lv, Huan Shan, Zia ur Rehman, Shuangming Chen, Zhe Sun*, Xiaojun Wu, Aidi Zhao, Li Song*
ACS Nano 2020, 14, 835[DOI:10.1021/acsnano.9b07931]
Acetylene and Diacetylene Functionalized Covalent Triazine Frameworks as Metal-Free Photocatalysts for Hydrogen Peroxide Production: A New Two-Electron Water Oxidation Pathway
Liang Chen, Lei Wang, Yangyang Wan, Ying Zhang, Zeming Qi, Xiaojun Wu, Hangxun Xu*
Advanced Materials 2020, 32, 1904433[DOI:10.1002/adma.201904433]

2019

A black phosphorus-graphite composite anode for Li-/Na-/K-Ion batteries
Hongchang Jin, Haiyun Wang, Zhikai Qi, De-Shan Bin, Taiming Zhang, Yangyang Wan, Jiaye Chen, Chenghao Chuang, Ying-Rui Lu, Ting-Shan Chan, Huanxin Ju, An-Min Cao, Wensheng Yan, Xiaojun Wu, Hengxing Ji*, and Li-Jun Wan*
Angewandte Chemie-International Edition 2019, 59, 2318[DOI:10.1002/anie.201913129]
A Dual-Functional Conductive Framework Embedded with TiN-VN Heterostructures for Highly Efficient Polysulfide and Lithium Regulation toward Stable Li–S Full Batteries
Yu Yao, Haiyun Wang, Hai Yang, Sifan Zeng, Rui Xu, Fanfan Liu, Pengcheng Shi, Yuezhan Feng, Kai Wang, Wenjin Yang, Xiaojun Wu, Wei Luo*, Yan Yu*
Advanced Materials 2019, 32, 1905658[DOI:10.1002/adma.201905658]
Band structure tailoring in ZrSe2 single crystal via trace rhenium intercalation
Zia ur Rehman, Sheng Wang, Mukhtar Adam Lawan, Shah Zareen, Oyawale Adetunji Moses, Wen Zhu, Xiaojun Wu, Zhe Sun*, Li Song*
Applied Physics Letters 2019, 115, 213102 [DOI:10.1063/1.5115280]
Spin polarization and tunable valley degeneracy in a MoS2 monolayer via proximity coupling to a Cr2O3 substrate
Kai Zhang, Lu Wang, Xiaojun Wu*
Nanoscale 2019, 41, 19536 [DOI:10.1039/c9nr05698j]
Deep Reconstruction of Nickel-Based Precatalysts for Water Oxidation Catalysis
Xiong Liu, Kun Ni, Bo Wen, Ruiting Guo, Chaojiang Niu, Jiashen Meng, Qi Li, Peijie Wu, Yanwu Zhu, Xiaojun Wu*, Liqiang Mai*
ACS Energy Letters 2019, 4, 2585 [DOI:10.1021/acsenergylett.9b01922]
Reversing the charge transfer between platinum and sulfur-doped carbon support for electrocatalytic hydrogen evolution
Qiangqiang Yan, Daoxiong Wu, Shengqi Chu, Zhiqin Chen, Yue Lin, Mingxi Chen, Jing Zhang, Xiaojun Wu*, Haiwei Liang*
Nature Communication 2019, 10, 4977[DOI:10.1038/s41467-019-12851-w ]
Selective Selenium-Substituted Metallic MoTe2 toward Ternary Atomic Layers with Tunable Semiconducting Character
Zia Ur Rehman, Wen Zhu, Sheng Wang, Yijie Niu, Zahir Muhammad, Oyawale Adetunji Moses, Chuangqiang Wu, Muhammad Habib, Shuangming Cheng, Xiaojun Wu*, Zhe Sun*, Pulickel M. Ajayan, Li Song*
Journal of Physical Chemistry C 2019, 123, 24927-24933 [DOI:10.1021/acs.jpcc.9b06881]
Enhanced catalytic hydrogen evolution reaction in phosphorene nanosheet via cobalt intercalation
Wenliang Zhang, Kai Zhang, Xiaojun Wu*
Chinese Journal of Chemical Physics 2019, 32, 572-578 [DOI:10.1063/1674-0068/cjcp1904080]
Variation of Interfacial Interactions in PC61BM-like Electron-Transporting Compounds for Perovskite Solar Cells
Olivia Fernandez-Delgado, Edison Castro, Carolina R. Ganivet, Kaylin Fosnacht, Fang Liu, Tom Mates, Ying Liu, Xiaojun Wu, Luis Echegoyen
ACS Applied Materials & Interfaces 2019, 11, 34408-34415 [DOI:10.1021/acsami.9b09018]
Reaction selectivity of homochiral versus heterochiral intermolecular reactions of prochiral terminal alkynes on surfaces
Tao Wang, Haifeng Lv, Jianmin Huang, Huan Shan, Lin Feng, Yahui Mao, Jinyi Wang, Wenzhao Zhang, Dong Han, Qian Xu, Pingwu Du, Aidi Zhao*, Xiaojun Wu*, Steven L. Tait, Junfa Zhu*
Nature Communications 2019, 10, 4122 [DOI:10.1038/s41467-019-12102-y]
Protonation-Assisted Exfoliation of N-Containing 2D Conjugated Polymers
Xinlei Zhang, Xiao Luo, Xusheng Zheng, Xiaojun Wu, Hangxun Xu*
Small 2019, 15, 1903643 [DOI:10.1002/smll.201903643]
Tandem nanocatalyst design: putting two step-reaction sites into one location towards enhanced hydrogen transfer reactions
Yang You, Hao Huang, Keke Mao, SOng Xia, Di Wu, Canyu Hu, Chao Gao, Panyiming Liu, Ran Long*, Xiaojun Wu, Yujie Xiong*
Science China-Materials 2019, 62, 1297-1305 [DOI:10.1007/s40843-019-9428-8]
Enhanced surface strengthening of titanium treated by combined surface deep-rolling and oxygen boost diffusion technique
Yunfei Jia, Renjing Pan, Pengyue Zhang, Zhongti Sun, Xiaoru Chen, Xiancheng Zhang*, Xiaojun Wu*
Corrosion Science 2019, 157, 256-267 [DOI:10.1016/j.corsci.2019.05.020]
CO2 Activation and Reduction on Pt-CeO2-Based Catalysts
Yi Yang, Shuang Wang, Yunan Jiang, Xiaojun Wu, Changrong Xia, Ranran Peng*, Yalin Lu*
Journal of Physical Chemistry C 2019, 123, 17092-17101 [DOI:10.1021/acs.jpcc.9b02878]
Natural Vermiculite Enables High-Performance in Lithium-Sulfur Batteries via Electrical Double Layer Effects
Feixiang Wu, Haifeng Lv, Shuangqiang Chen, Simon Lorger, Vesna Srot, Martin Oschatz, Peter A. van Aken, Xiaojun Wu, Joachim Maier, Yan Yu*
Advanced Functional Materials 2019, 29, 1902820 [DOI:10.1002/adfm.201902820]
Designing Highly Efficient and Long-Term Durable Electrocatalyst for Oxygen Evolution by Coupling B and P into Amorphous Porous NiFe-Based Material
Fei Hu, Haiyun Wang, Yan Zhang, Xiaocheng Shen, Guanghui Zhang, Yanbo Pan, Jeffrey T. Miller, Kun Wang, Shengli Zhu, Xianjin Yang, Chengming Wang, Xiaojun Wu*, Yujie Xiong*, Zhenmeng Peng*
Small 2019, 15, 1901020 [DOI:10.1002/smll.201901020]
Oxygen-Deficient Ruddlesden-Popper-Type Lanthanum Strontium Cuprate Doped with Bismuth as a Cathode for Solid Oxide Fuel Cells
Xueyu Hu, Mei Li, Yun Xie, Yi Yang, Xiaojun Wu*, Changrong Xia*
ACS Applied Materials & Interfaces 2019, 11, 21593-21602 [DOI:10.1021/acsami.9b05445]
Acid-durable electride with layered ruthenium for ammonia synthesis: boosting the activity via selective etching
Jiang Li, Jiazhen Wu, Haiyun Wang, Yangfan Lu, Tiannan Ye, Masato Sasase, Xiaojun Wu*, Masaaki Kitano*, Takeshi Inoshita, Hideo Hosono*
Chemical Science 2019, 10, 5712-5718 [DOI:10.1039/c9sc01539f]
Optimal coordination-site exposure engineering in porous platinum for outstanding oxygen reduction performance
Han Cheng, Si Liu, Zikai Hao, Jingyu Wang, Bojun Liu, Guangyao Liu, Xiaojun Wu, Wangsheng Chu, Changzheng Wu*, Yi Xie
Journal of Materials Chemistry C 2019, 7, 6406-6413 [DOI:10.1039/c9tc00635d]
TMC (TM = Co, Ni, and Cu) monolayers with planar pentacoordinate carbon and their potential applications
Changyan Zhu, Haifeng Lv, Xin Qu, Min Zhang*, Jianyun Wang, Shizheng Wen, Quan Li, Yun Geng, Zhongmin Su, Xiaojun Wu*, Yafei Li*, Yanming Ma
Journal of Materials Chemistry C 2019, 7, 6406-6413 [DOI:10.1039/c9tc00635d]
In Operando Probing of Lithium-Ion Storage on Single-Layer Graphene
Kun Ni, Xiangyang Wang, Zhuchen Tao, Jing Yang, Na Shu, Jianglin Ye, Fei Pan, Jian Xie, Ziqi Tan, Xuemei Sun, Jie Liu ,Zhikai Qi, Xanxia Chen, Xiaojun Wu, Yanwu Zhu*
Advanced Materials 2019, 31, 1808091 [DOI:10.1002/adfm.201901026]
Zwitterion Coordination Induced Highly Orientational Order of CH3NH3PbI3 Perovskite Film Delivers a High Open Circuit Voltage Exceeding 1.2 V
Weiran Zhou, Dan Li, Zhengguo Xiao, Zhilin Wen, Mengmeng Zhang, Wangpei Hu, Xiaojun Wu, Mingtai Wang, Wen-Hua Zhang, Yalin Lu, Shihe Yang*, Shangfeng Yang*
Advanced Functional Materials 2019, 29, 1901026 [DOI:10.1002/adfm.201901026]
An ultrathin cuprite film on Pt(111) with high reactivity to CO
Wenyuan Wang, Zhiling Wen, Shanwei Hu, Zhe Li, Xiaojun Wu*, Junfa Zhu, Xiang Shao*
Chemical Communications 2019, 55, 5825-5828 [DOI:10.1039/c9cc01002e]
High Phase Purity of Large-Sized 1T'-MoS2 Monolayers with 2D Superconductivity
Jing Peng, Yuhua Liu, Xiao Luo, Jiajing Wu, Yue Lin, Yuqiao Guo, Jiyin Zhao, Xiaojun Wu, Changzheng Wu*, Yi Xie
Advanced Materials 2019, 31, 1900568 [DOI:10.1002/adma.201900568]
Mott-Schottky Effect Leads to Alkyne Semihydrogenation over Pd-Nanocube@N-Doped Carbon
Xingxing Li, Yu Pan, Hong Yi, Jingcheng Hu, Dali Yang, Fengzhi Lv, Wendian Li, Jinping Zhou, Xiaojun Wu*, Aiwen Lei, Lina Zhang*
ACS Catalysis 2019, 9, 4632-4641 [DOI:10.1021/acscatal.9b01001]
First-Principles Study of Ultrathin Molybdenum Sulfides Nanowires: Electronic and Catalytic Hydrogen Evolution Properties
Xiaoting Li, Yangyang Wan, Xiaojun Wu*
Chinese Journal of Chemical Physics 2019, 32, 267-272 [DOI:10.1063/1674-0068/cjcp1804076]
Encapsulation of SeS2 into Nitrogen-Doped Free-Standing Carbon Nanofiber Film Enabling Long Cycle Life and High Energy Density K-SeS2 Battery
Yu Yao, Rui Xu, Minglong Chen, Xiaolong Cheng, Sifan Zeng, Dongjun Li, Xuefeng Zhou, Xiaojun Wu, Yan Yu*
ACS Nano 2019, 14, 4695-4704 [DOI:10.1021/acsnano.9b00980]
Rational Design of Atomic Layers of Pt Anchored on Mo2C Nanorods for Efficient Hydrogen Evolution over a Wide pH Range
Yu Qiu, Zhilin Wen, Chaoran Jiang, Xiaojun Wu, Rui Si, Jun Bao, Qinghua Zhang, Lin Gu, Junwang Tang*, Xiaohui Guo*
Small 2019, 15, 1900014 [DOI:10.1002/smll.201900014]
Enhanced Superoxide Generation on Defective Surfaces for Selective Photooxidation
Xianshun Sun, Xiao Luo, Xiaodong Zhang*, Junfeng Xie, Sen Jin, Hui Wang, Xusheng Zheng, Xiaojun Wu, Yi Xie
Jounral of the American Chemical Society 2019, 141, 3797-3801 [DOI:10.1021/jacs.8b13051]
Cobalt in Nitrogen-Doped Graphene as Single-Atom Catalyst for High-Sulphur Content Lithium-Sulphur Batteries
[Highly Cited Paper]
Zhenzhen Du, Xingjia Chen, Wei Hu, Chenghao Chuang, Shuai Xie, Ajuan Hu, Wensheng Yan, Xianghua Kong, Xiaojun Wu*, Hengxing Ji*, Li-Jun Wan
Jounral of the American Chemical Society 2019, 141, 3977-3985 [DOI:10.1021/jacs.8b12973]
Upraising the O 2p Orbital by Integrating Ni with MoO2 for Accelerating Hydrogen Evolution Kinetics
Xiong Liu, Kun Ni(co-1st), Chaojiang Niu, Ruiting Guo, Wei Xi*, Zhaoyang Wang, Jiashen Meng, Jiantao Li, Yanwu Zhu, Peijie Wu, Qi Li, Jun Luo, Xiaojun Wu*, Liqiang Mai*
ACS Catalysis 2019, 3, 2275-2285 [DOI:10.1021/acscatal.8b04817]

2018

[Review] Towards rational design of low-dimensional material: from structure prediction to molecular engineering (in Chinese)
Zhiwen Zhuo, Haifeng Lv, Yangyang Wan, Xiaojun Wu*
Scientia Sinica Chimica (中国科学：化学) 2018, 48, 998-1014. [DOI:10.1360/N032018-00099]
[Review] Theoretical design and regulation of low-dimensional spintronics (in Chinese)
Haifeng Lv, Xiaojun Wu*
Chinese Science Bulletin (科学通报) 2018, 64, 3442-3452. [DOI:10.1360/N972018-00915]
CNT Interwoven Nitrogen and Oxygen Dual-Doped Porous Carbon Nanosheets as Free-Standing Electrodes for High-Performance Na-Se and K-Se Flexible Batteries
Yu Yao, Minglong Chen, Rui Xu, Sifan Zeng, Hai Yang, Shufen Ye, Fanfan Liu, Xiaojun Wu, Yan Yu*
Advanced Materials 2018, 30, 1805234. [DOI:10.1002/adma.201805234]
Surface etching induced ultrathin sandwich structure realizing enhanced photocatalytic activity
Bo Yang, Wentuan Bi, Yangyang Wan, Xiaogang Li, Mingcan Huang, Ruilin Yuan, Huanxin Ju, Wangsheng Chu, Xiaojun Wu, Linghui He, Changzheng Wu*, Yi Xie
Science China-Chemistry 2018, 61, 1572-1580. [DOI:10.1007/s11426-018-9314-4]
Ultrathin Ti2Nb2O9 Nanosheets with Pseudocapacitive Properties as Superior Anode for Sodium-Ion Batteries
Laifa Shen, Yi Wang, Haifeng Lv, Shuangqiang Chen, Peter A. van Aken, Xiaojun Wu, Joachim Maier, Yan Yu*
Advanced Materials 2018, 30, 1804378. [DOI:10.1002/adma.201804378]
[Review] Material Design for Photocatalytic Water Splitting from a Theoretical Perspective
Cen-Feng Fu, Xiaojun Wu*, Jinlong Yang*
Advanced Materials 2018, 30, 1802106. [DOI:10.1002/adma.201802106]
P3Cl2: A Unique Post-Phosphorene 2D Material with Superior Properties against Oxidation
Ning Lu*, Zhiwen Zhuo, Yi Wang, Hongyan Guo*, Wei Fa, Xiaojun Wu, Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 2018, 9, 6568-6575. [DOI:10.1021/acs.jpclett.8b03136]
Bipolar magnetism in a two-dimensional NbS2 semiconductor with high Curie temperature
Yingjie Sun, Zhiwen Zhuo, Xiaojun Wu*
Journal of Materials Chemistry C 2018, 6, 11401-11406. [DOI:10.1039/c8tc04188a]
Two-dimensional transitional metal dihydride crystals with anisotropic and spin-polarized Fermi Dirac cones
Haifeng Lv, Daoxiong Wu, Xiuling Li, Xiaojun Wu*, Jinlong Yang
Journal of Materials Chemistry C 2018, 6, 11243-11247. [DOI:10.1039/c8tc03489c]
Vapor-phase hydrothermal transformation of a nanosheet array structure Ni(OH)(2) into ultrathin Ni3S2 nanosheets on nickel foam for high-efficiency overall water splitting
Guoqiang Liu, Zhongti Sun, Xian Zhang, Haojie Wang, Guozhong Wang, Xiaojun Wu, Haiming Zhang*, Huijun Zhang
Journal of Materials Chemistry A 2018, 6, 19201-19209. [DOI:10.1039/c8ta07162d]
Boosting the Electrochemical Performance of Li-S Batteries with a Dual Polysulfides Confinement Strategy
Yu Yao, Wanlin Feng, Minglong Chen, Xiongwu Zhong, Xiaojun Wu*, Haibing Zhang*, Yan Yu*
Small 2018, 14, 1802516. [DOI:10.1002/smll.201802516]
Kinetic Strategies for the Formation of Graphyne Nanowires via Sonogashira Coupling on Ag(111)
Tao Wang, Jianmin Huang, Haifeng Lv, Qitang Fan, Lin Feng, Zhijie Tao, Huanxin Ju, Xiaojun Wu, Steven L. Tait, Junfa Zhu*
Journal of the American Chemical Society 2018, 140, 13421-13428. [DOI:10.1021/jacs.8b08477]
Two-Dimensional Tellurium Nanosheets Exhibiting an Anomalous Switchable Photoresponse with Thickness Dependence
Jing Peng, Yu Pan, Zhi Yu, Jiajing Wu, Junchi Wu, Yuan Zhou, Yuqiao Guo, Xiaojun Wu, Changzheng Wu*, Yi Xie
Angewandte Chemie-International Edition 2018, 57, 13533-13537. [DOI:10.1002/anie.201808050]
Polyoxomolybdate-derived carbon-encapsulated multicomponent electrocatalysts for synergistically boosting hydrogen evolution
Xiong Liu, Kun Ni, Bo Wen, Chaojiang Niu*, Jiashen Meng, Ruiting Guo, Qi Li, Jiantao Li, Yanwu Zhu, Xiaojun Wu*, Dongyuan Zhao, Liqiang Mai*
Journal of Materials Chemistry A 2018, 6, 17874-17881. [DOI:10.1039/c8ta07135g]
Enhanced Oxygen Reduction on Graphene via Y5Si3 Electride Substrate: a First-Principles Study
Jingjing Lin, Haifeng Lv, Xiaojun Wu*
Chinese Journal of Chemical Physics 2018, 31, 649-654. [DOI:10.1063/1674-0068/31/cjcp1804071]
Understanding the underlying mechanism of improved selectivity in pd(1) single-atom catalyzed hydrogenation reaction
Huan Yan, Haifeng Lv, Hong Yi, Wei Liu, Yujia Xia, Xiaohui Huang, Weixin Huang, Shiqiang Wei, Xiaojun Wu*, Junling Lu*
Journal of Catalysis 2018, 6, 70-79 [DOI:10.1016/j.jcat.2018.07.033]
Promoting the water reduction reaction of transition metal dichalcogenides in a basic electrolyte by interface engineering
Hui Ding, Qiyang Jiao, Haifeng Lv, Kun Xu, Qiyu Xing, Min Chen, Wangsheng Chu, Xiaojun Wu, Yuqiao Guo*
Journal of Materials Chemistry A 2018, 6, 17488-17494. [DOI:10.1039/c8ta05387a]
Anchoring Fullerene onto Perovskite Film via Grafting Pyridine toward Enhanced Electron Transport in High-Efficiency Solar Cells
Bairu Li, Jieming Chen, Yangyang Wang, Xunyong Lei, Qing Liu, Yajuan Liu, Lingbo Jia, Xiaojun Wu, Hualing Zeng, Wenfeng Zhang, Guan-Wu Wang, Muqing Chen*, Shangfeng Yang*
ACS Applied Materials & Interfaces 2018, 10, 32471-32482. [DOI:10.1021/acsami.8b11459]
Local Charge Distribution Engineered by Schottky Heterojunctions toward Urea Electrolysis
Caicai Li, Youwen Liu, Zhiwen Zhuo, Huangxin Ju, Dian Li, Yanpeng Guo, Xiaojun Wu, Huiqiao Li, Tianyou Zhai*
Advanced Energy Materials 2018, 8, 1801775. [DOI:10.1002/aenm.201801775]
The electrochemical performance and CO2 reduction mechanism on strontium doped lanthanum ferrite fuel electrode in solid oxide electrolysis cell
Yi Yang, Yihang Li, Yunan Jiang, Minghao Zheng, Tao Hong, Xiaojun Wu*, Changrong Xia*
Electrochimica ACTA 2018, 284, 159-167. [DOI:10.1016/j.electacta.2018.07.187]
Electron doping induced semiconductor to metal transitions in ZrSe2 layers via copper atomic intercalation
Zahir Muhammad, Kejun Mu, Haifeng Lv, Chuanqiang Wu, Zia ur Rehman, Muhammad Habib, Zhe Sun,* Xiaojun Wu, and Li Song*
Nano Research 2018, 11, 4914-4922. [DOI:10.1007/s12274-018-2081-1]
Refining Defect States in W18O49 by Mo Doping: A Strategy for Tuning N-2 Activation towards Solar-Driven Nitrogen Fixation
[Hightly Cited Paper][Hot Paper]
Ning Zhang, Abdull Jalil, Daoxiong Wu, Shuangming Chen, Yifei Liu, Chao Gao*, Wei Ye, Zeming Qi, Huangxin Ju, Chengming Wang, Xiaojun Wu*, Li Song, Junfa Zhu, Yujie Xiong*
Journal of the American Chemical Society 2018, 140, 9434-9443. [DOI:10.1021/jacs.8b02076].
Unravelling the Mechanism of Glaser Coupling Reaction on Ag(111) and Cu(111) Surfaces: a Case for Halogen Substituted Terminal Alkyne
Tao Wang, Haifeng Lv, Lin Feng, Zhijie Tao, Jianmin Huang, Qitang Fan, Xiaojun Wu*, Junfa Zhu*
The Journal of Physical Chemistry C 2018, 122, 14537-14545. [DOI:10.1021/acs.jpcc.8b02893].
Construction of molecular regular tessellations on a Cu(111) surface
Zhijie Tao, Tao Wang, Daoxiong Wu, Lin Feng, Jianmin Huang, Xiaojun Wu*, Junfa Zhu*
Chemical Communications 2018, 54, 7010-7013. [DOI:10.1039/c8cc01719k].
Degradation Chemistry and Stabilization of Exfoliated Few-Layer Black Phosphorus in Water
[Highly Cited Paper]
Taiming Zhang, Yangyang Wan, Huanyu Xie, Yang Mu, Pingwu Du, Dong Wang, Xiaojun Wu*, Hengxing Ji*, Lijun Wan
Journal of the American Chemical Society 2018, 140 , 7561-7567. [DOI:10.1021/jacs.8b02156].
1T-Mo1-xWxS2/CdS Heterostructure Enabling RobustPhotocatalytic Water Splitting: Unveiling the InterfacialCharge Polarization
Qun He, Yangyang Wan, Youkui Zhang, Hongliang Jiang,* Hengjie Liu, Xusheng Zheng, Shuangming Chen, Xiaojun Wu, and Li Song*
Solar RRL 2018, 2, 1800032. [DOI:10.1002/solr.201800032]
Enhanced O-2 reduction on atomically thin Pt-based nanoshells by integrating surface facet, interfacial electronic, and substrate stabilization effects
Wei Ye, Zhongti Sun(co-1st author), Chengming Wang*, Mengshan Ye, Chenhao Ren, Ran Long, Xusheng Zheng, Junfa Zhu, Xiaojun Wu*, Yujie Xiong*
Nano Research 2018, 11, 3313-3326. [DOI:10.1007/s12274-017-1891-x].
Lithiation-induced amorphization of Pd3P2S8 for highly efficient hydrogen evolution
Xiao Zhang, Zhimin Luo, Peng Yu, Yongqing Cai, Yonghua Du, Daoxiong Wu, Si Gao, Chaoliang Tan, Zhong Li, Minqin Ren, Thomas Osipowicz, Shuangming Chen, Zheng Jiang, Jiong Li, Ying Huang, Jian Yang, Ye Chen, Chung Yen Ang, Yanli Zhao, Peng Wang, Li Song, Xiaojun Wu, Zheng Liu, Armando Borgna & Hua Zhang*
Nature Catalysis 2018, 1 , 460-468. [DOI:10.1038/s41929-018-0072-y]
Nickel Vacancies Boost Reconstruction in Nickel Hydroxide Electrocatalyst
Qun He, Yangyang Wan (co-1st author), Hongliang Jiang,* Ziwen Pan, Chuanqiang Wu, Mei Wang, Xiaojun Wu*, Bangjiao Ye, Pulickel M. Ajayan, and Li Song*
ACS Energy Letters 2018, 3, 1373-1380 .
Single photon emission from plasma treated 2D hexagonal boron nitride
Zai-Quan Xu*, Christopher Elbadawi, Trong Tran Toan, Mehran Kianinia, Xiuling Li, Daobin Liu, Timothy B. Hoffman, Nguyen Minh, Sejeong Kim, James H. Edgar, Xiaojun Wu, Li Song, Sajid Ali, Mike Ford, Milos Toth*, Igor Aharonovich*
Nanoscale 2018, 10, 7957-7965. [DOI:10.1039/c7nr08222c].
Surface Immobilization of Transition Metal Ions on Nitrogen‐Doped Graphene Realizing High‐Efficient and Selective CO2 Reduction
Wentuan Bi, Xiaogang Li, Rui You, Minglong Chen, Ruilin Yuan, Weixin Huang, Xiaojun Wu, Wangsheng Chu,* Changzheng Wu,* Yi Xie
Advanced Materials 2018, 30, 1706617 .
Magnetic and Electronic Properties of Single-Walled Mo2C Nanotube: a first-principles Study
Abdul Jalil, Zhongti Sun (co-1st), Dayong Wang, and Xiaojun Wu*
Journal of Physics-Condensed Matter 2018, 30, 155305.
CaP3: A New Two-Dimensional Functional Material with Desirable Band Gap and Ultrahigh Carrier Mobility
Ning Lu,* Zhiwen zhuo (co-1st author), Hongyan Guo,* Ping Wu, Wei Fa, Xiaojun Wu, Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 2018, 9, 1728-1733 .
Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals
Zahir Muhammad1, Haifeng Lv, Chuanqiang Wu, Muhammad Habib, Zia ur Rehman, Rashid Khan, Shuangming Chen, Xiaojun Wu*, Li Song*
Materials Research Express 2018, 5, 0646110. [DOI:10.1088/2053-1591/aabe65/meta]
High-metallic-phase-concentration Mo1–xWxS2 nanosheets with expanded interlayers as efficient electrocatalysts
Qun He, Yangyang Wan (co-1st), Hongliang Jiang (co-1st), Chuanqiang Wu, Zhongti Sun, Shuangming Chen*, Yu Zhou, Haiping Chen, Daobin Liu, Yasir A. Haleem, Binhui Ge, Xiaojun Wu* and Li Song*
Nano Research 2018, 11, 1687-1698. [DOI:10.1007/s12274-017-1786-x]
A New Phase of Two-Dimensional ReS2 Sheet with Tunable Magnetism
Zhongti Sun, Haifeng Lv, Zhiwen Zhuo, Abdul Jalil, Wenhua Zhang, Xiaojun Wu* and Jinlong Yang
Journal of Materials Chemistry C 2018, 6, 1248-1254. [DOI:10.1039/c7tc05303g].
Defect engineering of mesoporous nickel ferrite and its application for highly enhanced water oxidation catalysis
Qiudi Yue, Cunming Liu, Yangyang Wan, Xiaojun Wu, Xiaoyi Zhang,* and Pingwu Du*
Journal of Catalysis 2018, 358, 1-7. [DOI:10.1016/j.jcat.2017.10.027].
Two-dimensional silicon crystals with sizable band gaps and ultrahigh carrier mobility
Zhiwen Zhuo, Xiaojun Wu*, and Jinlong Yang
Nanoscale 2018, 10, 1265-1271.
Ambipolar Half-Metallicity in One-Dimensional Metal–(1,2,4,5-Benzenetetramine) Coordination Polymers via Carrier Doping
Yangyang Wan, Yingjie Sun, Xiaojun Wu*, and Jinlong Yang
The Journal of Physical Chemistry C 2018, 122, 989-994.
Controllable Surface Reorganization Engineering on Cobalt Phosphide Nanowire Arrays for Efficient Alkaline Hydrogen Evolution Reaction
[Highly Cited Paper]
Kun Xu, Han Cheng, Haifeng Lv, Jingyu Wang, Linqi Liu, Si Liu, Xiaojun Wu, Wangsheng Chu, Changzheng Wu*, and Yi Xie
Advanced Materials 2018, 30, 1703322. [DOI:10.1002/adma.201703322]
A first-principles study on divergent reactions of using a Sr3Fe2O7 cathode in both oxygen ion conducting and proton conducting solid oxide fuel cells
Wenzhou Tan, Daoming Huang, Wenqiang Yang, Nai Shi, Wanhua Wang, Ranran Peng*, Xiaojun Wu, Yalin Lu*
RSC Advances 2018, 8, 26448-26460. [DOI:10.1039/c8ra04059a]

2017

Twisted MX2/MoS2 heterobilayers: effect of van der Waals interaction on the electronic structure
Ning Lu,* Hongyan Guo, Zhiwen Zhuo, Lu Wang, Xiaojun Wu and Xiao Cheng Zeng*
Nanoscale 2017, 9, 19131-19138. [DOI:10.1039/c7nr07746g]
Co Nanoparticles Encapsulated in N-Doped Carbon Nanosheets: Enhancing Oxygen Reduction Catalysis without Metal–Nitrogen Bonding
Xinlei Zhang, Jingjing Lin, Shuangming Chen, Jia Yang, Li Song, Xiaojun Wu*, and Hangxun Xu*
ACS Applied Materials & Interfaces 2017, 9, 38499-38506. [DOI:10.1021/acsami.7b11120]
Enhanced Catalytic Activity in Nitrogen-Anion Modified Metallic Cobalt Disulfide Porous Nanowire Arrays for Hydrogen Evolution
Pengzuo Chen, Tianpei Zhou, Minglong Chen, Yun Tong, Nan Zhang, Xu Peng, Wangsheng Chu, Xiaojun Wu, Changzheng Wu*, Yi Xie
ACS Catalysis 2017, 7, 7405-7411. [DOI:10.1021/acscatal.7b02218]
Exclusive Ni−N4 sites realize near-unity CO selectivity for electrochemical CO2 reduction
[Highly Cited Paper]
Xiaogang Li, Wentuan Bi (co-1st), Minglong Chen (co-1st), Yuexiang Sun, Huangxin Ju, Wensheng Yan, Junfa Zhu, Xiaojun Wu, Wangsheng Chu, Changzheng Wu,* and Yi Xie
Journal of the American Chemical Society 2017, 139, 14778-14892. [DOI:10.1021/jacs.7b09074}
Conjugated microporous polymer nanosheets for overall water splitting using visible light
Lei Wang, Yangyang Wan (co-1st), Yanjun Ding, Sikai Wu, Ying Zhang, Xinlei Zhang, Guoqing Zhang, Yujie Xiong, Xiaojun Wu*, Jinlong Yang, and Hangxun Xu*
Advanced Materials 2017, 19, 1702428. [DOI:10.1002/adma.201702428]
The role of metal oxide interactions: revisiting Pt growth on the TiO2 surface in the process of impregnation method
Zhi Jiang,* Zhonti Sun, Yuqi Yang, Siyu Chen, Wenfeng Shangguan, and Xiaojun Wu*
Nanoscale 2017, 9, 14272-14279. [DOI:10.1039/c7nr02913f]
Highly selective synthesis of cis-enediynes on a Ag(111) surface
Tao Wang, Haifeng Lv, Qitang Fan, Lin Feng, Xiaojun Wu*, and Junfa Zhu*
Angewandte Chemie-International Edition 56, 4762-4766 (2017). [DOI:10.1002/anie.201701142][PDF]
Enhanced Water Oxidation Activity on Ni, Co-Doped Fe2O3 (0001) Surface
Ning Lu, wenhua Zhang, and Xiaojun Wu*
Chinese Journal of Chemical Physics 2017, 30, 553-558. [DOI:10.1063/1674-0068/30/cjcp1705090]
Mechanical activation of platinum-acetylide complex for olefin hydrosilylation
Kai Wei, Zongchun Gao, Huarong Liu, Xiaojun Wu, Feng Wang,* and Hangxun Xu*
ACS Macro Letters 2017, 6, 1146-1150. [DOI:10.1021/acsmacrolett.7b00487]
Metallic Transition Metal Selenide Holey Nanosheets for Efficient Oxygen Evolution Electrocatalysis
Zhiwei Fang, Lele Peng, Haifeng Lv, Yue Zhu, Chunshuang Yan, Shengqi Wang, Pranav Kalyani, Xiaojun Wu and Guihua Yu*
ACS Nano 2017, 11, 9550-9557. [DOI:10.1021/acsnano.7b05481]
Modulation of metal and insulator states in 2D ferromgnetic VS2 by van der Waals Interaction Engineering
Yuqiao Guo, Haitao Deng, Xu Sun, Xiuling Li, Jiyin Zhao, Junchi Wu, Wangsheng Chu, Sijia Zhang, Haibin Pan, Xusheng Zheng, Xiaojun Wu*, Changqing Jin,* Changzheng Wu,* and Yi Xie
Advanced Materials 2017, 29, 1700715. [DOI:10.1002/adma.201700715]
Peapod-like Li3VO4/N-doped carbon nanowires with pseudocapacitive properties as advanced materials for high-energy lithium-ion capacitors
Laifa Shen, Haifeng Lv (co-1st), Shuangqiang Chen, Peter Kpold, Peter A. van Aken, Xiaojun Wu*, Joachim Maier, and Yan Yu*
Advanced Materials 29, 1700142 (2017). [DOI:10.1002/adma.201700142]
Very large-sized transition metal dichalcogenides monolayers from fast exfoliation by manual shaking
Jing Peng, Jiajing Wu, Xiaoting Li, Yuan Zhou, Zhi Yu, Yuqiao Guo, Junchi Wu, Yue Lin, Zejun Li, Xiaojun Wu, Changzheng Wu,* and Yi Xie
Journal of the American Chemical Society 2017, 139, 9019-9025. [DOI:10.1021/jacs.7b04332]
Pt-Cu hierarchical quasi great dodecahedrons with abundant twining defects for hydrogen evolution
Ruijie Huang, Zhongti Sun, Sheng Chen, Siyu Wu, Zeqi Shen, Xiaojun Wu* and Jie Zeng*
Chemical Communications 2017, 53, 6922-6925. [DOI:10.1039/c7cc03643d]
Electron-Doped 1T-MoS2 via Interface Engineering for Enhanced Electrocatalytic Hydrogen Evolution
Qin Liu, Qi Fang, Wangsheng Chu, Yangyang Wan, Xiuling Li, Weiyu Xu, Muhammad Habib, Shi Tao, Yu Zhou, Daobin Liu, Ting Xiang, Adnan Khalil, Xiaojun Wu, Manish Chhowalla, Pulickel M Ajayan, and Li Song*
Chemistry of Materials 2017, 29, 4738-4744. [DOI:10.1021/acs.chemmater.7b00446]
Half-metallicity in one-dimensional metal trihydride molecular nanowires
Xiuling Li, Haifeng Lv (co-1st), Jun Dai, Liang Ma, Xiao Cheng Zeng, Xiaojun Wu*, and Jinlong Yang
Journal of the American Chemical Society 139, 6290-6293 (2017). [DOI:10.1021/jacs.7b01369]
Probing lattice vibration and surface electronic state in a layered (NH4)2V3O8 single crystal
Haiping Chen, Zhongti Sun, Chengming Wang, Xiuling Li, Xusheng Zheng, Youkui Zhang, Qun He, Xiaojun Wu*, and Li Song*
Journal of Materials Chemistry C 2017, 5, 4185-4189. [DOI:10.1039/c7tc00336f]
Room-temperature ferromagnetism in two-dimensional Fe2Si nanosheet with enhanced spin-polarization ratio
Yingjie Sun, Zhiwen Zhuo (co-1st), Xiaojun Wu*, and Jinlong Yang
Nano Letters 17, 2771-2777 (2017). [DOI:10.1021/acs.nanolett.6b04884]
Embedded silicene nanostructures in partly-dehydrogenated polysilane
Xiuling Li, Xiao Cheng Zeng, and Xiaojun Wu*
Physical Chemistry Chemical Physics 19, 10401-10405 (2017). [DOI:10.1039/c7cp01020f]
Photocatalytic oxygen evolution from low-bandgap conugated microporous polymer nanosheets: a combined first-principles calculation and experimental study
Lei Wang, Yangyang Wan (co-1st), Yanjun Ding, Yuchen Niu, Yujie Xiong, Xiaojun Wu*, and Hangxun Xu*
Nanoscale 9, 4090-4096 (2017). [DOI:10.1039/c7nr00534b]
Effects of line defects on electronic properties of ZnO nanoribbons and sheets
Ning Lu, Hongyan Guo, Wei Hu, Xiaojun Wu*, and Xiao Cheng Zeng *
Journal of Materials Chemistry C 5, 3121-3129 (2017). [DOI:10.1039/C7TC00367F]
Enhanced selective oxidation of h-BN nanosheet through a substrate-mediated localized charge effect
Keke Mao, Xiaojun Wu*, and Jinlong Yang
Physical Chemistry Chemical Physics 19, 4435-4439 (2017). [DOI:10.1039/C6CP07402B][PDF]
Incorpoarting Pyrrolic and Pyridinic Nitrogen into a Porous Carbon made from C60 Molecules to Obtain Superior Energy Storage
Ziqi Tan, Kun Ni, Guanxiong Chen, Wencong Zeng, Zhuchen Tao, Mujtaba Ikram, Qiubo Zhang, Huijuan Wang, Litao Sun, Xianjun Zhu, Xiaojun Wu, Hengxing Ji, Rodney S. Ruoff,* and Yanwu Zhu*
Advanced Materials 29, 1603414 (2017). [DOI:10.1002/adma.201603414][PDF]
Room-Temperature Ferromagnetism in Two Dimensional Layered Cu2MoS4 Nanosheet
Ke Zhang, Rashid Khan, Hongyan Guo, Irfan Ali, Xiuling Li, Yunxiang Lin, Haiping Chen, Wensheng Yan, Xiaojun Wu*, and Li Song *
Physical Chemistry Chemical Physics 19, 1735-1739 (2017). [DOI:10.1039/C6CP07270D]
Mechanism for the Enhanced Oxygen Reduction Reaction of La0.6Sr0.4Co0.2Fe0.8O3-delta by Strontium Carbonate
Mei Li, Zhongti Sun, Wenqiang Yang, Tao Hong, Zhesheng Zhu, Yanxiang Zhang, Xiaojun Wu*, and Changrong Xia *
Physical Chemistry Chemical Physics 19, 503-509 (2017). [DOI:10.1039/C6CP06204K]
Promoting Active Species Generation by Electrochemical Activation in Alkaline Media for Efficient Electrocatalytic Oxygen Evolution in Neutral Media
Kun Xu, Han Cheng, Linqi Liu, Haifeng Lv, Xiaojun Wu, Changzheng Wu, * and Yi Xie
Nano Letters 17, 578-583 (2017). [DOI:10.1021/acs.nanolett.6b04732]
Understanding Structure-Dependent Catalytic Performance of Nickel Selenides for Electrochemical Water Oxidation
Kun Xu, Hui Ding, Haifeng Lv, Shi Tao, Pengzuo Chen, Xiaojun Wu, Wangsheng Chu, Changzheng Wu,* and Yi Xie
ACS Catalysis 2017, 7, 310-315. [DOI:10.1021/acscatal.6b02884]

2016

Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells
Annie Ng, Zhiwei Ren, Qian Shen, Sin Hang Cheung, Huseyin Cem Gokkaya, Shu Kong So, Aleksandra B. Djuisic, Yangyang Wan, Xiaojun Wu, and Chales Surya *
ACS Appl. Mater. Interf. 8, 32805-32814 (2016). [DOI:10.1021/acsami.6b07513][PDF]
Three-Dimensional Covalently Linked Allotropic Structures of Phosphorus
Zhinwen Zhuo, Xiaojun Wu*, and Jinlong Yang
The Journal of Physical Chemistry C 120, 26453-26458 (2016). [DOI:10.1021/acs.jpcc.6b10873][PDF]
Point Defects in Lines in Single Crystalline Phosphorene: Directional Migration and Tunable Band Gaps
Xiuling Li, Liang Ma, Dayong Wang, Xiao Cheng Zeng, Xiaojun Wu*, and Jinlong Yang
Nanoscale 8, 17801-17808 (2016). [DOI:10.1039/C6NR05414E][PDF]
Two-Dimensional Phosphorous Porous Polymorphs with Tunable Band Gaps
Zhiwen Zhuo, Xiaojun Wu*, and Jinlong Yang
Journal of the American Chemical Society 138, 7091-7098 (2016). [DOI:10.1021/jacs.6b02964][PDF]
Mn2C Monolayer: A 2D Antiferromagnetic Metal with High Néel Temperature and Large Spin-Orbit Coupling
Lin Hu, Xiaojun Wu, and Jinlong Yang*
Nanoscale 8, 12939-12945 (2016). [DOI:10.1039/C6NR02417C][PDF]
Insight into Electrocatalysts as Co-Catalysts in Efficient Photocatalytic Hydrogen Evolution
Wentuan Bi, Lei Zhang, Zhongti Sun, Xiaogang Li, Tao Jin, Xiaojun Wu, Qun Zhang*, Yi Luo, Changzheng Wu*, Yi Xie
ACS Catal. 6, 4253-4257 (2016). [DOI:10.1021/acscatal.6b00913][PDF]
Integration of Kinetic Control and Lattice Mismatch To Synthesize Pd@AuCu Core–Shell Planar Tetrapods with Size-Dependent Optical Properties
Min Meng, Zhicheng Fang, Chao Zhang, Hongyang Su, Rong He, Renpeng Zhang, Hongliang Li, Zhi-Yuan Li, Xiaojun Wu, Chao Ma, and Jie Zeng*
Nano Letters 16, 3036-3041 (2016). [DOI:10.1021/acs.nanolett.6b00002E][PDF]
[Review] Two-dimensional monolayer designs for spintronics applications
Xiuling Li, and Xiaojun Wu*
Wiley Interdisciplinary Review-Computational Molecular Science 2016, 6, 441-455. [DOI:110.1002/wcms.1259]
Ferroelectricity and magnetism in metal-formate frameworks of [NH4][M(HCOO)3] (M = Sc to Zn):a first-principles study
Yingjie Sun, Zhiwen Zhuo, and Xiaojun Wu*
RSC Advances 2016, 6, 113234-113239. [DOI:10.1039/c6ra24182d]
Synergistic effects towards H2 oxidation on the Cu-CeO2 electrode: a combination study of DFT calculation and experiments
Shuang Wang, Minghao Zheng, Mei Li, Xiaojun Wu*, and Changrong Xia*
Journal of Materials Chemistry A 2016, 4, 5745-5754. [DOI:10.1039/C6TA00732E]
Surface Landau levels and spin states in bismuth (111) ultrathin films
Hongjian Du, Xia Sun, Xiaogang Liu, Xiaojun Wu, Jufeng Wang, Mingyang Tian, Aidi Zhao, Yi Luo, Jinlong Yang, Bing Wang,* and J.G. Hou*
Nature Communication 2016, 7, 10814. [DOI]
Dual Electrical-Behavior Regulation on Electrocatalysts Realizing Enhanced Electrochemical Water Oxidation
Kun Xu, Hui Ding, Haifeng Lv, Pengzuo Chen, Xiuli Lu, Han Cheng, Tianpei Zhou, Si Liu, Xiaojun Wu, Changzheng Wu,* and Yi Xie
Advanced Materials 2016, 28, 3326-3332. [DOI]
Extremely Weak van der Waals Coupling in Vertical ReS2 Nanowalls for High-Current-Density Lithium-Ion Batteries
Qin Zhang , Shuangjie Tan , Rafael G. Mendes , Zhongti Sun , Yongting Chen , Xin Kong , Yinghui Xue , Mark H. Rümmeli , Xiaojun Wu, Shengli Chen , and Lei Fu*
Advanced Materials 28, 2616-2623 (2016). [DOI][PDF]
Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects
Ruiqi Zhang, Xiaojun Wu, Jinlong Yang*
Nanoscale 8, 4001-4006 (2016). [DOI:10.1039/c5nr06856h][PDF] [2016 Hot Articles in Nanoscale]
Cobalt nitrides as a class of metallic electrocatalysts for the oxygen evolution reaction
Pengzuo Chen, Kun Xu, Yun Tong, Xiuling Li, Shi Tao, Zhiwei Fang, Wangsheng Chu, Xiaojun Wu, and Changzheng Wu*
Inorganic Chemistry Frontiers 2016, 3, 236-242. [DOI:10.1039/c5qi00197h]
Superparamagnetic Reduced Graphene Oxide with Large Magnetoresistance: A Surface Modulation Strategy
Jing Peng+, Yuqiao Guo, Haifeng Lv, Xinyu Dou, Qi Chen, Jiyin Zhao, Changzheng Wu,* Xiaojiao Zhu, Yue Lin, Wei Lu, Xiaojun Wu, and Yi Xie
Angewandte Chemie-International Edition 55, 3176-3180 (2016). [DOI:10.1002/anie.201511436][PDF]

2015

Au-Pd Alloy Octapods with High Electrocatalytic Activity for the Oxidation of Formic Acid
Liang-Bing Wang, You-Cheng Wang, Hong-Yan Guo, Jian-Liu Huang, Yun-Long Zhao, Qi-Yu Liu, Xiaojun Wu*, and Jie Zeng*
Particle & Particle System. Character. 32, 295-300 (2015). [DOI][PDF]
CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field
Hongyan Guo, Wenhua Zhang, Ning Lu, Zhiwen Zhuo, Xiao Cheng Zeng, Xiaojun Wu*, and Jinlong Yang
The Journal of Physical Chemistry C 119, 6912-6917 (2015). [DOI][PDF]
Efficient Coupling of Solar Energy to Catalytic Hydrogenation by Using Well-Designed Palladium Nanostructures
Ran Long, Zhoulv Rao, Keke Mao, Yu Li, Chao Zhang, Qiliang Liu, Chengming Wang, Zhi-Yuan Li, Xiaojun Wu, and Yujie Xiong*
Angewandte Chemie-International Edition 54, 2425-2430 (2015). [DOI][PDF]
Electronic and magnetic properties of silicon supported organometallic molecular wires: a density functional theory (DFT) study
Xia Liu, Yingzi Tan, Xiuling Li, Xiaojun Wu, and Yong Pei*
Nanoscale 7, 13734-13746 (2015). [DOI][PDF]

First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets
Shaofeng Wang, and Xiaojun Wu*
Chinese Journal of Chemical Physics 2015, 28, 588-594. [DOI][PDF]

Gram-Scale Aqueous Synthesis of Stable Few-Layered 1T-MoS2: Applications for Visible-Light-Driven Photocatalytic Hydrogen Evolution
[Highly Cited Paper]
Qin Liu, Xiuling Li, Qun He, Adnan Khalil, Daobin Liu, Ting Xiang, Xiaojun Wu*, and Li Song*
Small 11, 5556-5564 (2015). [DOI][PDF]

Graphene/Sulfur Hybrid Nanosheets from a Space-Confined "Sauna" Reaction for High-Performance Lithium-Sulfur Batteries
Linfeng Fei, Xiaogang Li, Wentuan Bi, Zhiwen Zhuo, Wenfei Wei, Li Sun, Wei Lu, Xiaojun Wu, Keyu Xie, Changzheng Wu,* Helen L. W. Chan, and Yu Wang*
Advanced Materials 27, 5936-5942 (2015). [DOI][PDF]

Highly Efficient Photothermal Effect by Atomic-Thickness Confinement in Two-Dimensional ZrNCl Nanosheets
Feng Feng, Hongyan Guo, Dianqi Li, Changzheng Wu,* Junchi Wu, Wenshuai Zhang, Shaojuan Fan, Yuchen Yang, Xiaojun Wu, Jinlong Yang, Bangjiao Ye, and Yi Xie
ACS Nano 9, 1683-1691 (2015). [DOI][PDF]
Hydrogen dangling bonds induce ferromagnetism in two-dimensional metal-free graphitic-C3N4 nanosheets
Kun Xu, Xiuling Li, Pengzuo Chen, Dan Zhou, Changzheng Wu,* Yuqiao Guo, Lidong Zhang, Jiyin Zhao, Xiaojun Wu, and Yi Xie
Chemical Science 2015, 6, 283-287. [DOI][PDF]
Metallic Nickel Nitride Nanosheets Realizing Enhanced Electrochemical Water Oxidation
[Highly Cited Paper]
Kun Xu, Pengzuo Chen, Xiuling Li, Yun Tong, Hui Ding, Xiaojun Wu, Wangsheng Chu,* Zhenmeng Peng,* Changzheng Wu,* and Yi Xie
Journal of the American Chemical Society 137, 4119-4125 (2015). [DOI][PDF]
MoP is a novel, noble-metal-free cocatalyst for enhanced photocatalytic hydrogen production from water under visible light
Qiudi Yue, Yangyang Wan, Zijun Sun, Xiaojun Wu*, Yupeng Yuan, and Pingwu Du*
Journal of Materials Chemistry A 3, 16941-16947 (2015). [DOI][PDF]
Platinum Multicubes Prepared by Ni2+-Mediated Shape Evolution Exhibit High Electrocatalytic Activity for Oxygen Reduction
Liang Ma, ChengmingWang, Bao Yu Xia, Keke Mao, Jiawei He, Xiaojun Wu, Yujie Xiong,* and Xiong Wen (David) Lou*
Angewandte Chemie-International Edition 54, 5666-5671 (2015). [DOI][PDF]

Proposal of a general scheme to obtain room-temperature spin polarization in asymmetric antiferromagnetic semiconductors
Xingxing Li, Xiaojun Wu, Zhenyu Li, and Jinlong Yang*
Physical Review B 92, 125202 (2015). [DOI][PDF]

Rupturing C-60 Molecules into Graphene-Oxide-like Quantum Dots: Structure, Photoluminescence, and Catalytic Application
Guanxiong Chen, Zhiwen Zhuo, Kun Ni, Na Yeon Kim, Yuan Zhao, Zongwei Chen, Bin Xiang, Lihua Yang, Qun Zhang, Zonghoon Lee, Xiaojun Wu, Rodney S. Ruoff, and Yanwu Zhu*
Small 39, 5296-5304 (2015). [DOI][PDF]

Stable Metallic 1T-WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties
Qin Liu, Xiuling Li (co-1st), Zhangru Xiao, Yu Zhou, Haipin Chen, Adnan Khalil, Ting Xiang, Junqing Xu, Wangsheng Chu, Xiaojun Wu*, Jinlong Yang, Chengming Wang, Yujie Xiong, Chuanhong Jin, Pulickel M. Ajayan, and Li Song*
Advanced Materials 27, 4837-4844 (2015). [DOI][PDF]
[Review] Structural exploration of two-dimensional materials (in Chinese)
Zhiwen Zhuo, and Xiaojun Wu*
Chinese Science Bulletin 60, 2588-2600 (2015). [DOI][PDF]

2014

[Review] Low-Dimensional Boron Nitride Nanomaterials (in Chinese)
Xiuling Li, and Xiaojun Wu*
Journal of University of Science and Technology of China 44, 389-402 (2014). [DOI][PDF]

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation
Keke Mao, Lei Li, Wenhua Zhang,* Yong Pei, Xiao Cheng Zeng, Xiaojun Wu*, and Jinlong Yang
Scientific Report 4, 5441 (2014). [DOI][PDF]
AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell
Jun Dai, Xiaojun Wu, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 5, 2058-2065 (2014). [DOI][PDF]
Designs of fullerene-based frameworks for hydrogen storage
Yi Gao,* Xiaojun Wu, and Xiao Cheng Zeng
Journal of Materials Chemistry A 2, 5910-5914 (2014). [DOI][PDF]
Electronic structure engineering in chemically modified ultrathin ZnO nanofilms via a built-in heterointerface
Hongyan Guo, Ning Lu, Jun Dai, Xiao Cheng Zeng, Xiaojun Wu*, and Jinlong Yang
RSC Advances 4, 18718-18723 (2014). [DOI][PDF]
Enhanced Catalytic Activity toward O-2 Reduction on Pt-Modified La1-xSrxCo1-yFeyO3-delta Cathode: A Combination Study of First-Principles Calculation and Experiment
Wenqiang Yang, Zhenbin Wang, Zhiquan Wang, Zhenghui Yang, Changrong Xia, Ranran Peng,* Xiaojun Wu*, and Yalin Lu*
ACS Applied Materials & Interfaces 6, 21051-21059 (2014). [DOI][PDF]
First-principles study of O-2 reduction on BaZr1-xCoxO3 cathodes in protonic-solid oxide fuel cells
Zhenbin Wang, Wenqiang Yang, Zhouying Zhu, Ranran Peng,* Xiaojun Wu*, Changrong Xia, and Yalin Lu*
Journal of Materials Chemistry A 2, 16707-16714 (2014). [DOI] [PDF]
Half-Metallicity in MnPSe3 Exfoliated Nanosheet with Carrier Doping
Xingxing Li, Xiaojun Wu, and Jinlong Yang*
Journal of the American Chemical Society 136, 11065-11069 (2014). [DOI][PDF]
Metal-Free Magnetism and Half-Metallicity of Carbon Nitride Nanotubes: A First-Principles Study
Zhaoyong Guan, Jiajun Wang, Jing Huang, Xiaojun Wu, Qunxiang Li,* and Jinlong Yang
The Journal of Physical Chemistry C 118, 22491-22498 (2014). [DOI][PDF]
MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field
[Highly Cited Paper]
Ning Lu, Hongyan Guo, Lei Li, Jun Dai, Lu Wang, Wai-Ning Mei, Xiaojun Wu*, and Xiao Cheng Zeng*
Nanoscale 6, 2879-2886 (2014). [DOI][PDF] [ESI High Cited paper]
Optical Properties of Metal-Molybdenum Disulfide Hybrid Nanosheets and Their Application for Enhanced Photocatalytic Hydrogen Evolution
Lei Yang, Ding Zhong, Jingyu Zhang, Zhiping Yan, Shaofeng Ge, Pingwu Du,* Jun Jiang, Dong Sun,* Xiaojun Wu, Zhiyong Fan, Shadi A. Dayeh, and Bin Xiang*
ACS Nano 8, 6979-6985 (2014). [DOI][PDF]

Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers
[Highly Cited Paper]
Hongyan Guo, Ning Lu, Jun Dai, Xiaojun Wu*, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 118 14051-14059 (2014). [DOI][PDF] [ESI High Cited Paper]
Porous Boron Nitride with Tunable Pore Size
Jun Dai, Xiaojun Wu, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 5, 393-398 (2014). [DOI][PDF]
Room-Temperature Half-Metallicity in La(Mn,Zn)AsO Alloy via Element Substitutions
Xingxing Li, Xiaojun Wu, and Jinlong Yang*
Journal of the American Chemical Society 136, 5664-5669 (2014). [DOI][PDF]
Silicene as a highly sensitive molecule sensor for NH3, NO and NO2
Wei Hu, Nan Xia, Xiaojun Wu, Zhenyu Li, and Jinlong Yang*
Physical Chemistry Chemical Physics 16, 6957-6962 (2014). [DOI][PDF]
Tunable Electronic and Magnetic Properties of Graphene Flake-Doped Boron Nitride Nanotubes
Zhaoyong Guan, Weiyi Wang, Jing Huang,* Xiaojun Wu, Qunxiang Li,* and Jinlong Yang
The Journal of Physical Chemistry C 118, 28616-28624 (2014). [DOI][PDF]

Tunable Oxygen Activation for Catalytic Organic Oxidation: Schottky Junction versus Plasmonic Effects
Ran Long, Keke Mao, Ming Gong, Shan Zhou, Jiahua Hu, Min Zhi, Yang You, Song Bai, Jun Jiang, Qun Zhang,* Xiaojun Wu*, and Yujie Xiong*
Angewandte Chemie-International Edition 53, 3205-3209 (2014). [DOI][PDF]

Tuning Electronic and Magnetic Properties of Early Transition-Metal Dichalcogenides via Tensile Strain
Hongyan Guo, Ning Lu, Lu Wang, Xiaojun Wu*, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 118, 7242-7249 (2014). [DOI][PDF]

Ultrathin nanosheets of feroxyhyte: a new two-dimensional material with robust ferromagnetic behavior
Pengzuo Chen, Kun Xu, Xiuling Li, Yuqiao Guo, Dan Zhou, Jiyin Zhao, Xiaojun Wu, Changzheng Wu,* and Yi Xie
Chemical Science 5, 2251-2255 (2014). [DOI][PDF]

Uniform B-C-N Ternary Monolayer from Non-Metal Filled g-C3N4 Sheet
Na Zhang and Xiaojun Wu*
Chinese Journal of Chemical Physics 27, 394-398 (2014). [DOI][PDF]

van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation
Ning Lu, Hongyan Guo, Lu Wang, Xiaojun Wu, and Xiao Cheng Zeng*
Nanoscale 6, 4566-4571 (2014). [DOI][PDF]

2013

CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au-3 Active Site and CO Induced O-O Scission
Chunyan Liu, Yingzi Tan, Sisi Lin, Hui Li, Xiaojun Wu, Lei Li, Yong Pei,* and Xiao Cheng Zeng*
Journal of the American Chemical Society 135, 2583-2595 (2013). [DOI][PDF]

Control of spin in a La(Mn,Zn)AsO alloy by carrier doping
Xingxing Li, Xiaojun Wu, and Jinlong Yang*
Journal of Materials Chemistry C 1, 7197-7201 (2013). [DOI][PDF}

Effect of Co doping on the electrochemical properties of Sr2Fe1.5Mo0.5O6 electrode for solid oxide fuel cell
Xin Pan, Zhenbin Wang, Beibei He, Shaorong Wang, Xiaojun Wu, and Changrong Xia*
International Journal of Hydrogen Energy 38, 4108-4115 (2013). [DOI][PDF]

Exploration of Structures of Two-Dimensional Boron-Silicon Compounds with sp(2) Silicon
Jun Dai, Yu Zhao, Xiaojun Wu*, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 4, 561-567 (2013). [DOI][PDF]

Helium separation via porous silicene based ultimate membrane
Wei Hu, Xiaojun Wu, Zhenyu Li, and Jinlong Yang*
Nanoscale 5, 9062-9066 (2013). [DOI][PDF]

Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure
Jun Dai, Yu Zhao, Xiaojun Wu*, Xiao Cheng Zeng,* and Jinlong Yang
The Journal of Physical Chemistry C 117, 22156-22161 (2013). [DOI][PDF]

Oxygen reduction and transport on the La1-xSrxCo1-yFeyO3-delta cathode in solid oxide fuel cells: a first-principles study
Zhenbin Wang, Ranran Peng,* Wenhua Zhang, Xiaojun Wu*, Changrong Xia, and Yalin Lu
Journal of Materials Chemistry A 1, 12932-12940 (2013). [DOI][PDF]

Porous silicene as a hydrogen purification membrane
Wei Hu, Xiaojun Wu, Zhenyu Li, and Jinlong Yang*
Physical Chemistry Chemical Physics 15, 5753-5757 (2013). [DOI][PDF]

Surface Facet of Palladium Nanocrystals: A Key Parameter to the Activation of Molecular Oxygen for Organic Catalysis and Cancer Treatment
Ran Long, Keke Mao, Xiaodong Ye, Wensheng Yan, Yaobing Huang, Jianyong Wang, Yao Fu, Xisheng Wang, Xiaojun Wu, Yi Xie, and Yujie Xiong*
Journal of the American Chemical Society 135, 3200-3207 (2013). [DIU][PDF] [C&EN Hightlight]

Ti-doped molybdenum-based perovskites as anodes for solid oxide fuel cells
Beibei He, Zhenbin Wang, Ling Zhao, Xin Pan, Xiaojun Wu, and Changrong Xia*
Journal of Power Sourcess 241, 627-633 (2013). [DOI][PDF]

Ultrathin Nanosheets of Vanadium Diselenide: A Metallic Two-Dimensional Material with Ferromagnetic Charge-Density-Wave Behavior
Kun Xu, Pengzuo Chen, Xiuling Li, Changzheng Wu,* Yuqiao Guo, Jiyin Zhao, Xiaojun Wu, and Yi Xie*
Angewandte Chemie-International Edition 52, 10477-10481 (2013). [DOI][PDF]

Unusual Metallic Microporous Boron Nitride Networks
Jun Dai, Xiaojun Wu*, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry Letters 4, 3484-3488 (2013). [DOI][PDF]

Vanadium sulfide nanoribbons: Electronic and magnetic properties
Yan Zhang, and Xiaojun Wu*
Physics Letters A 377, 3154-3157 (2013). [DOI][PDF]

2012

Band-Gap Engineering via Tailored Line Defects in Boron-Nitride Nanoribbons, Sheets, and Nanotubes
Xiuling Li, Xiaojun Wu*, Xiao Cheng Zeng,* and Jinlong Yang*
ACS Nano 6, 4104-4112 (2012). [DOI][PDF]
Bipolar magnetic semiconductors: a new class of spintronics materials
Xingxing Li, Xiaojun Wu, Zhenyu Li, and Jinlong Yang*
Nanoscale 4, 5680-5685 (2012). [DOI][PDF]
In situ controllable synthesis platinum nanocrystals on TiO2 by novel polyol-process combined with light induced photocatalysis oxidation
Zhi Jiang, Hongyan GUo, Zheng Jiang, Guosheng Chen, Longfei Xia, Wenfeng Shangguan,* and Xiaojun Wu*
Chemical Communications 48, 9598-9600 (2012). [DOI][PDF]

Linear Band-Gap Modulation of Graphane Nanoribbons under Uniaxial Elastic Strain: A Density Functional Theory Study
Yan Zhang, Xiaojun Wu*, Qunxiang Li, and Jinlong Yang*
The Journal of Physical Chemistry C 116, 9356-9359 (2012). [DOI][PDF]

Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study
Yu Zhao, Xiaojun Wu*, Jinlong Yang,* and Xiao Cheng Zeng*
Physical Chemistry Chemical Physics 14, 5545-5550 (2012). [DOI][PDF]

Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes
Peng Lu, Xiaojun Wu, Wanlin Guo,* and Xiao Cheng Zeng*
Physical Chemistry Chemical Physics 14, 13035-13040 (2012). [DOI][PDF]

Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study
Hongyan Guo, Yu Zhao, Ning Lu, Erjun Kan, Xiao Cheng Zeng,*, Xiaojun Wu*, and Jinlong Yang
The Journal of Physical Chemistry C 116, 11336-11342 (2012). [DOI][PDF]

Two-Dimensional Boron Monolayer Sheets
[Highly Cited Paper]
Xiaojun Wu*, Jun Dai, Yu Zhao, Zhiwen Zhuo, Jinlong Yang, and Xiao Cheng Zeng*
ACS Nano 6, 7443-7453 (2012). [DOI][PDF]
Two-dimensional organometallic porous sheets with possible high-temperature ferromagnetism
Erjun Kan,* Xiaojun Wu, Changhoon Lee, Ji Hoon Shim, Ruifeng Lu, Chuanyun Xiao,* and Kaiming Deng
Nanoscale 4, 5304-5307 (2012). [DOI][PDF]

2011

Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes
Yu Zhao, Xiaojun Wu*, Jinlong Yang, and Xiao Cheng Zeng*
Physical Chemistry Chemical Physics 13, 11766-11772 (2011). [DOI][PDF]

Adsorption of NO Molecule on Spinel-Type CuFe(2)O(4) Surface: A First-Principles Study
Zhi Jiang, Wenhua Zhang, Wenfeng Shangguan,* Xiaojun Wu*, and Yasutake Teraoka
The Journal of Physical Chemistry C 115, 13035-13040 (2011). [DOI][PDF]

Carbon Nanotube Superarchitectures: An Ab lnitio Study
Rulong Zhou, Rui Liu, Lei Li, Xiaojun Wu, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 115, 18174-18185 (2011). [DOI][PDF]

Density-Functional Theory Studies of Step-Kinked Carbon Nanotubes
Xiaojun Wu, Rulong Zhou, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 115, 4235-4239 (2011). [DOI][PDF]

Half-Metallicity in Hybrid Graphene/Boron Nitride Nanoribbons with Dihydrogenated Edges
Yuling Liu, Xiaojun Wu*, Yu Zhao, Xiao Cheng Zeng,* and Jinlong Yang*
The Journal of Physical Chemistry C 115, 9442-9450 (2011). [DOI][PDF]

Inorganic Nanoribbons with Unpassivated Zigzag Edges: Half Metallicity and Edge Reconstruction
Menghao Wu, Xiaojun Wu, Yong Pei, and Xiao Cheng Zeng*
Nano Research 4, 233-239 (2011). [DOI][PDF]

Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method
Xinyu Luo, Jihui Yang, Hanyu Liu, Xiaojun Wu, Yanchao Wang, Yanming Ma, Su-Huai Wei, Xingao Gong, and Hongjun Xiang*
Journal of the American Chemical Society 133, 16285-16290 (2011). [DOI][PDF]

Site-selected doping in silicon nanowires by an external electric field
Fang Wu, Erjun Kan,* and Xiaojun Wu*
Nanoscale 3, 3620-3622 (2011). [DOI][PDF]

Three-dimensional network model of carbon containing only sp(2)-carbon bonds and boron nitride analogues
Menghao Wu, Xiaojun Wu, Yong Pei, and Xiao Cheng Zeng*
Chemical Communications 47, 4406-4408 (2011). [DOI][PDF]

Before 2010

Carrier-Tunable Magnetic Ordering in Vanadium-Naphthalene Sandwich Nanowires
Zhuhua Zhang, Xiaojun Wu, Wanlin Guo,* and Xiao Cheng Zeng*
Journal of the American Chemical Society 132, 10215-10217 (2010). [DOI][PDF]

Exploration of Half Metallicity in Edge-Modified Graphene Nanoribbons
Menghao Wu, Xiaojun Wu, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 114, 9, 3937-3944 (2010). [DOS][PDF]

Patterned Hydrogenation of Graphene: Magnetic Quantum Dot Array
Menghao Wu, Xiaojun Wu, Yi Gao, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 114, 139-142 (2010). [DOI][PDF]

Chemically decorated boron-nitride nanoribbons
Xiaojun Wu, Menghao Wu, and Xiao Cheng Zeng*
Frontiers of Physics in China 4, 367-372 (2009). [DOI][PDF]

Double Metallocene Nanowires
Xiaojun Wu and Xiao Cheng Zeng*
Journal of the American Chemical Society 131, 14246-14248 (2009). [DOI:10.1021/ja904912z][PDF]

Materials design of half-metallic graphene and graphene nanoribbons
Menghao Wu, Xiaojun Wu, Yi Gao, and Xiao Cheng Zeng*
Applied Physical Letters 94, 223111 (2009). [DOI][PDF]

B2C Graphene, Nanotubes, and Nanoribbons
Xiaojun Wu, Yong Pei, and Xiao Cheng Zeng*
Nano Letters 9, 1577-1582 (2009). [DOI][PDF] [Nature Nanotechnology Hightlight]

Periodic Graphene Nanobuds
Xiaojun Wu and Xiao Cheng Zeng*
Nano Letters 9, 250-256 (2009). [DOI][PDF]

Sawtooth-Like Graphene Nanoribbon
Xiaojun Wu and Xiao Cheng Zeng *
Nano Research 1, 40-45 (2008). [DOI][PDF]

Half-metallicity in hybrid BCN nanoribbons
Er-Jun Kan, Xiaojun Wu, Zhenyu Li, Xiao Cheng Zeng, Jinlong Yang,* and J. G. Hou
J Chem. Phys. 129, 084712 (2008). [DOI][PDF]

First-Principles Study of a Carbon Nanobud
Xiaojun Wu and Xiao Cheng Zeng*
ACS Nano 2, 1459-1465 (2008). [DOI][PDF]

Adsorption of O-2, H-2, CO, NH3, and NO2 on ZnO nanotube: A density functional theory study
Wei An, Xiaojun Wu, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 112, 5747-5755 (2008). [DOI][PDF]

Hydrogen Storage in Pillared Li-Dispersed Boron Carbide Nanotubes
Xiaojun Wu, Yi Gao, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 112, 8458-8463 (2008). [DOI][PDF]

Single-Walled MoTe 2 Nanotubes
Xiaojun Wu, Zhanping Xu, and Xiao Cheng Zeng*
Nano Letters 7, 2987-2982 (2007). [DOI][PDF]

Adsorption and Surface Reactivity on Single-Walled Boron Nitride Nanotubes Containing Stone−Wales Defects
Wei An, Xiaojun Wu, Jinlong Yang, and Xiao Cheng Zeng*
The Journal of Physical Chemistry C 111, 14105-14112 (2007). [DOI][PDF]

Transport Property of Two Isoelectronic Molecules
Jing Huang, Qunxiang Li,* Xiaojun Wu, Yinglong Miao, and Jinlong Yang
International Journal of NanoScience 5, 821 (2006). [DOI][PDF]

Chemical Functionalization of Boron−Nitride Nanotubes with NH 3 and Amino Functional Groups
Xiaojun Wu, Wei An, and Xiao Cheng Zeng*
Journal of the American Chemical Society 128, 12001-12006 (2006). [DOI][PDF]

Effect of Apical Defects and Doped Atoms on Field Emission of Boron Nitride Nanocones
Wei An, Xiaojun Wu, and Xiao Cheng Zeng*
The Journal of Physical Chemistry B 110, 16346-16352 (2006). [DOI][PDF]

Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes
Xiaojun Wu, Jinlong Yang, and Xiao Cheng Zeng*
Journal of Chemical Physics 125, 44704 (2006). [DOI][PDF]

Adsorption of transition-metal atoms on boron nitride nanotube: A density-functional study
Xiaojun Wu and Xiao Cheng Zeng*
Journal of Chemical Physics 125, 44711 (2006). [DOI][PDF]

Defects-enhanced dissociation of H2 on boron nitride nanotubes
Xiaojun Wu, Jinlong Yang*, Jianguo Hou, and Qingshi Zhu
Journal of Chemical Physics 124, 054706 (2006). [DOI][PDF]

Electronic Transport Properties of Pd‐H Junctions between two PdH_ {x}(x= 0, 0.25, 0.5, 0.75, 1) Electrodes: A Nonequilibrium Green's Function Study
Xiaojun Wu, Qunxiang Li, and Jinlong Yang*
Physical Review B 72 , 115438 (2005). [DOI][PDF]

Nonequilibrium Electronic Transport of 4,4'-Bipyridine Molecular Junction
Xiaojun Wu, Qunxiang Li, Jing Huang, and Jinlong Yang*
Journal of Chemical Physics 123, 184712 (2005). [DOI][PDF]

[Review] Theoretical Study on the Electron Transport Properties of Single Molecular Bridge
Xiaojun Wu, Qunxiang Li, Jing Huang, and Jinlong Yang*
Acta Physico-Chimica Sinica (物理化学学报) 20 , 995-1002 (2004). [DOI][PDF]

Deformation-Induced Site Selectivity for Hydrogen Adsorption on Boron Nitride Nanotubes
Xiaojun Wu, Jinlong Yang,* J. G. Hou, and Qingshi Zhu
Physical Review B 69, 153411(2004). [DOI][PDF]

Hydrogen Adsorption on Zigzag (8,0) Boron Nitride Nanotubes
Xiaojun Wu, Jinlong Yang,* J. G. Hou, and Qingshi Zhu
Journal of Chemical Physics 121, 8481-8485 (2004). [DOI][PDF]

Voltage-Dependent Scanning Tunneling Microscopy Images of a Copper Complex on Graphite
Zhigang Wang,* Qingdao Zeng, Yanbing Luan, Xiaojun Wu, Lijun Wan, Chen Wang, Gil U Lee, Shuxia Yin, Jinlong Yang, and Chunli Bai*
The Journal of Physical Chemistry B 107, 13384-13388 (2003). [DOI][PDF]

Scanning Tunneling Microscopy Image Contrast Variation on a Copper (II) Complex Adlayer with Tip–Sample Separation
Zhigang Wang, Qingdao Zeng Lijun Wan,* Chen Wang, Shuxia Yin, Chunli Bai,* Xiaojun Wu, Jinlong Yang
Surface Sciene 513, L436-L440 (2002). [DOI:10.1016/S0039-6028(02)01828-9][PDF]

Books

Chapter 1: Exploring Two-dimensional Crystals with Atomic Thickness from Molecular Design and Global Structure Search
Haifeng Lv, Zhiwen Zhuo, and Xiaojun Wu. Inorganic Two-Dimensional Nanomaterials: Fundamental Understanding, Characterizations and Energy Applications [Ed by Changzheng Wu] Royal Society of Chemistry (2017)
Chapter 8: Graphene-Based Architecture and Assemblies
Hongyan Guo, Rui Liu, Xiao Cheng Zeng, and Xiaojun Wu. Graphene Chemistry: Theoretical Perspectives [Ed by De-en Jiang & Zhongfang Chen] John Wiley & Sons, Ltd (2013)
复杂材料的电子结构方法：原子轨道正交化线性组合
Wai-Yim Ching & Paul Rulis著，武晓君，李震宇译。中国科学技术大学出版社（2015）

Computational Materials Research Group

Journal Articles (in chronological order)

Books

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