郑小宏，博士，教授，博士生导师。湖南省隆回县人。1998年和2001年先后毕业于湖南师范大学物理系分别获学士学位和硕士学位，2005年毕业于中国科学院固体物理研究所获博士学位并留所工作。2006-2008年美国北卡州立大学物理系博士后，2015-2016年加拿大麦吉尔大学物理系访问学者，2017年香港大学物理系访问学者。2022年7月调入南京林业大学信息科学技术学院。研究方向为计算纳米电子学与计算材料科学，主要面向未来电子信息技术的发展，以第一性原理计算为主要研究手段，从电子元器件的原子结构和电子结构的基本物理特征出发研究其电子输运行为、器件性能和开展结构设计；研究课题主要包括纳米结构与单分子器件的电子输运研究、磁性二维材料与器件的自旋输运调控，以及铁电与多铁隧道结的性能调控、器件设计与相关材料科学问题研究等；取得了系列成果，特别是在负微分电阻新机制、完全自旋极化输运实现新方法、二维纯自旋流器件的热学和光学实现以及二维铁电隧道结的隧穿电致电阻新机理等多个方面的研究中取得新的结果，相关研究将为未来纳米电子器件、自旋电子器件和铁电/多铁存储器件等的设计提供理论基础，并促进低能耗信息处理和高密度信息存储等技术的发展。先后主持了国家自然科学基金青年基金1项和面上项目3项，其它项目多项，并作为骨干参与了包括国家重大科学研究计划和中科院超级计算重点应用示范项目在内的多个项目。迄今共在Phys. Rev. B, Phys. Rev. Lett., Appl. Phys. Lett., ACS Nano, Angew. Chem. Int. Ed., 2D Mater., npj Quantum Information, Nanophotonics, Carbon, Nanoscale等系列刊物上发表SCI论文130余篇，H指数27。

地址：江苏省南京市玄武区龙蟠路159号，南京林业大学信息科学技术学院（210037）
Email：xhzheng@njfu.edu.cn

134). Peng Jiang, *Xiaohong Zheng, Lili Kang, Xixi Tao, Hongmei Huang, and Yan-Ling Li, Two-dimensional Janus Antiferromagnetic material Mn2P2S3Se3 with high Neel temperature and large out-of-plane piezoelectricity, J. Mater. Chem. C (2023) accepted.

133). Yanhong Zhou, Yuejun Li, Jun Xue, and *Xiaohong Zheng, Realizing pure spin current by photogalvanic effect in armchair graphene nanoribbons with nano-constriction engineering, Phys. Chem. Chem. Phys. (2023) accepted

132). Ziqi Han, Hua Hao, *Xiaohong Zheng, and Zhi Zeng, Bipolar spin-filtering and giant magnetoresistance effect in spin-semiconducting zigzag graphene nanoribbons, Phys. Chem. Chem. Phys. (2023) accepted.

131). Xiaoyu Cheng, Xiaohong Zheng, Jun Chen, Liantuan Xiao, Suotang Jia, and Lei Zhang, Reentrant quantum spin Hall effect in the presence of an exchange field, Phys. Rev. B (2023) accepted.

130). Lingling Song, Yan Zhang, Runlong Ye, Lu Liu, Canglong Wei, Han Zhao, and *Xiaohong Zheng, h-BN as a perfect  spin splitter in ferromagnetic zigzag graphene nanoribbons, 2D Materials 10, 015017(2023) (Link) 
129). Lingling Song, Lu Liu, Canglong Wei, Y. Zhang, Han Zhao, Runlong Ye, *Xiaohong Zheng, Vacuum barrier induced large spin polarization, giant magnetoresistance, and pure spin photocurrent in ferromagnetic zigzag graphene nanoribbons, J. Phys. D: Appl. Phys. 55, 455302 (2022) (Link)

128). Qingqing Chen, *Xiaohong Zheng, Peng Jiang, Yan-Hong Zhou, Lei Zhang, and Zhi Zeng, Electric field induced tunable half-metallicity in an A-type antiferromagnetic bilayer LaBr2, Phys. Rev. B 106, 245423 (2022) (Link)

127). Xixi Tao, Peng Jiang, Yaojun Dong, Xifeng Yang, *Xiaohong Zheng, *Yushen Liu, Carbon phosphide nanoribbons with spatial inversion symmetry: robust generators of pure spin current with photogalvanic effect, Phys. Chem. Chem. Phys. 24, 17131-17139  (2022) (Link).

126). Lingling Song, Han Zhao, Yan Zhang, Lu Liu, Xing Chen, Yingchun Lu and *Xiaohong Zheng, Perfect spin filtering of T-shaped device based on the zigzag silicon carbide nanoribbons, Computational Materials Science 213, 111588 (2022) (Link).

125). Deju Zhang, Xin-Yi Chen, Peng Jiang, Yunguo Li, Zhen Liu, Maosheng Miao, Hong-Mei Huang, Xiaohong Zheng, and *Yan-Ling Li, Pressure-tuned 1D-to-2D structural phase transition and superconductivity in LiP15, Phys. Rev. B 105, 094109 (2022) (Link).

124). Wei Xiao, Lili Kang, Hua Hao, Yanhong Zhou, *Xiaohong Zheng, *Lei Zhang and Zhi Zeng, Giant tunneling electroresistance induced by interfacial doping in Pt/BaTiO3/Pt ferroelectric tunnel junctions, Phys. Rev. Applied 17, 044001 (2022)(Link).

123). Ning Cao, Hua Hao, *Xiaohong Zheng, *Lei Zhang, and Zhi Zeng, Site and length dependent quantum interference and resonance in electron transport of armchair carbon nanotube molecular junctions, Phys. Chem.  Chem. Phys. 24, 8032-8040 (2022) (Link).

122). H. Gan, C. Zhang, X. Z. Du, P. Jiang, C. P. Niu, X. H. Zheng, *Y. W. Yin, and X. G. Li, Insights into superconductivity of LaO from experiments and first-principles calculations, Phys. Rev. B 104, 054515 (2021) (Link)

121). Peng Jiang, Lili Kang, Yan-Ling Li, *Xiaohong Zheng, Zhi Zeng, and *Stefano Sanvito, Prediction of a novel 2D Janus ferrovalley material LaBrI, Phys. Rev. B 104, 035430 (2021) (Link) 

120). Lili Kang, Peng Jiang, Hua Hao, Yanhong Zhou, *Xiaohong Zheng, *Lei Zhang, and Zhi Zeng, Giant tunnel electroresistance in ferroelectric tunnel junctions with metal contacts to two-dimensional ferroelectric materials, Phys. Rev. B 103, 125414 (2021) (Link).

119). Wei Xiao, Lili Kang, Hua Hao, Yanhong Zhou, *Lei Zhang, *Xiaohong Zheng, and Zhi Zeng, Giant tunneling electroresistance arising from reversible partial metallization of barrier in NaTiO3/BaTiO3/LaTiO3 ferroelectric tunnel junction, Phys. Chem. Chem. Phys. 23, 16349-16356 (2021) (Link) 

118). Lili Kang, Peng Jiang, Xiaoli Zhang, Hua Hao, *Xiaohong Zheng, *Lei Zhang, and Zhi Zeng, Domain-wall Induced Giant Tunneling Electroresistance Effect in Two-dimensional Graphene/In2Se3 Ferroelectric Tunnel Junctions, Physica E 133, 114783 (2021) (Link).

117). Yaqing Yang, Liwen Zhang, Jun Chen, *Xiaohong Zheng, *Lei Zhang, Liantuan Xiao and Suotang Jia, An Electrically switchable anti-ferroelectric bilayer In2Se3 based opto-spintronics device, Nanoscale 13, 8555-8561(2021) (Link).

116) Hua Hao, Ting Jia, Xiaohong Zheng, Peng Liu and Zhi Zeng, One-electron reduction induced spin transition in Fe(ii) spin crossover molecules and the effect of the ligand dagger, J. Mater. Chem. C 9, 4808-4814 (2021) (Link)

115). Lingling Song,  Zhihong Yang, Liwei Yuan, Lu Liu, Han Zhao, and *Xiaohong Zheng, Realizing stable half-metallicity in zigzag silicene nanoribbons with edge dihydrogenation and chemical doping, J. Phys. : Condens. Matt. 33, 195702 (2021) (Link).

114). Yan-Hong Zhou, Yuejun Li, Xiaohong Zheng, and Keqiu Chen, The effects of covalent coupling strength on the electron transport properties and rectification in graphene/porphine/graphene molecular junctions, Physica E 134, 114867 (2021) (Link)

113).  Yan-Hong Zhou, Shaohui Yu, Yuejun Li, Xin Luo, *Xiaohong Zheng, and *Lei Zhang,  Pure spin current generation with photogalvanic effect in graphene interconnect junctions, Nanophotonics 10, 1701-1709 (2021) (Link)

112). Peng Jiang, Xixi Tao, Hua Hao, *Yushen Liu, *Xiaohong Zheng and Zhi Zeng, Two-dimensional centrosymmetrical antiferromagnets for spin photogalvanic devices, npj Quantum Information 7, 21 (2021) (Link).

111). Xiaofei Guo, Liwen Zhang, *Jun Chen, Xiaohong Zheng, *Lei Zhang, Gate tunable self-powered few-layer black phosphorus broadband photodetector, Phys. Chem. Chem. Phys. 23, 399-404 (2021) (Link).

110). Peng Jiang, Lili Kang, Hua Hao, *Xiaohong Zheng, Zhi Zeng, and *Stefano Sanvito, Ferroelectric control of electron half-metallicity in A-type antiferromagnet and its novel application in nonvolatile memory devices, Phys. Rev. B 102, 245417 (2020)  (Link).

109). Peng Jiang, Lili Kang, *Xiaohong Zheng, Zhi Zeng, and *Stefano Sanvito, Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson's ratio and tunable magnetism by doping, Phys. Rev. B 102, 195408 (2020)(Link) 

108). Xixi Tao, Peng Jiang, Hua Hao, *Xiaohong Zheng, *Lei Zhang, and Zhi Zeng, Pure spin current generation via photogalvanic effect with spatial inversion symmetry, Phys. Rev. B (Rapid Communication) 102, 081402 (2020)(Link) 

107). Lili Kang, Peng Jiang, Hua Hao, Yanhong Zhou, *Xiaohong Zheng, *Lei Zhang, and Zhi Zeng, Giant tunneling electroresistance in two-dimensional ferroelectric tunnel junctions with out-of-plane ferroelectric polarization, Phys. Rev. B 101, 014105 (2020)(Link) 

106). Yanhong Zhou, Shaohui Yu, and *Xiaohong Zheng, Edge passivation control of graphene nanoribbons for robust pure spin current generation with photogalvanic effect, Carbon 170, 361-367 (2020)(Link) 

105). Lingling Song, Liwei Yuan, Zhihong Yang, Xing Chen, Han Zhao, Shaopeng Jin, and *Xiaohong Zheng, Generating pure spin current in zigzag graphene nanoribbons by a thermal gradient: the effect of edge doping with BN pairs, J. Phys. D: Appl. Phys. 53, 485304 (2020)(Link) 

104). Liwen Zhang, Yaqing Yang, Jun Chen, *Xiaohong Zheng, *Lei Zhang, Liantuan Xiao, and Suotang Jia, Giant magnetoresistance and dual spin filtering effect in ferromagnetic 6,6,12/gamma-graphyne zigzag nanoribbon lateral heterojunction, Phys. Chem. Chem. Phys. 22, 18548-18555 (2020)(Link) 

103). Lingling Song, Hongyuan Cao, Xiyuan Chai, Xiru Chen, Zheng Ye, Yuanzhi Zhou, Xiangzhen Huang, Haoyu Zhu, and *Xiaohong Zheng, Highly spin polarized transport in gamma-zigzag graphyne nanoribbon junctions, Physica E 120, 114057 (2020)(Link) 

102). Hua Hao, Ting Jia, Xiaohong Zheng, Peng Liu, and Zhi Zeng, Bias induced spin state transition mediated by electron excitations, J. Chem. Phys. 152, 134301 (2020)(Link) 

101). Lingling Song, Shaopeng Jin, Ya Liu, Liwei Yuan, Zhihong Yang, Peng Jiang, and *Xiaohong Zheng, Thermal gradient driven spin current in BN co-doped ferromagnetic zigzag graphene nanoribbons, Physica E 115, 113684 (2020)(Link) 

100). Yang Lan, Xixi Tao, Xianghua Kong, Yihui He, Xiaohong Zheng, Mark Sutton, Mercouri G. Kanatzidis, Hong Guo, and David G. Cooke, Coherent charge-phonon correlations and exciton dynamics in orthorhombic CH3NH3PbI3 measured by ultrafast multi-THz spectroscopy, J. Chem. Phys. 151, 214201 (2019)(Link) 

99). Lili Kang, Peng Jiang, Ning Cao, Hua Hao, *Xiaohong Zheng, Lei Zhang, and Zhi Zeng, Realizing giant tunneling electroresistance in two-dimensional graphene/BiP ferroelectric tunnel junction, Nanoscale 11, 16837-16843 (2019)(Link) 

98). Yanhong Zhou, and *Xiaohong Zheng, Generating pure spin current with spin-dependent Seebeck effect in ferromagnetic zigzag graphene nanoribbons, J. Phys.: Condens. Matter 31, 315301 (2019)(Link) 

97). Xianlong Wang, Chunju Hou, Xiaohong Zheng, and Zhi Zeng, Stability of pyridine-like and pyridinium-like nitrogen in graphene, J. Phys.: Condens. Matter 31, 265403 (2019)(Link) 

96). Liwen Zhang, Jun Chen, Xiaohong Zheng, *Bin Wang, *Lei Zhang, Liantuan Xiao, and Suotang Jia, Gate-tunable large spin polarization in a few-layer black phosphorus-based spintronic device, Nanoscale 11, 11872-11878 (2019)(Link) 

95). Yanhong Zhou, Xiaohong Zheng, Zi-Qiang Cheng, and Ke-Qiu Chen, Current Superposition Law Realized in Molecular Devices Connected in Parallel, J. Phys. Chem. C 123, 10462-10468 (2019)(Link) 

94). Peng Jiang, Xixi Tao, Lili Kang, Hua Hao, Lingling Song, Jie Lan, *Xiaohong Zheng, Lei Zhang, and Zhi Zeng, Spin current generation by thermal gradient in graphene/h-BN/graphene lateral heterojunctions, J. Phys. D: Appl. Phys. 52, 015303 (2019)(Link) 

93). Lingling Song, Shaopeng Jin, Peng Jiang, Hua Hao, *Xiaohong Zheng, and Lei Zhang, Realizing robust half-metallic transport with chemically modified graphene nanoribbons, Carbon 141, 676-684 (2019)(Link) 

101). Peng Jiang, Lili Kang, Xixi Tao, Ning Cao, Hua Hao, *Xiaohong Zheng, Lei Zhang, and Zhi Zeng, Robust generation of half-metallic transport and pure spin current with photogalvanic effect in zigzag silicene nanoribbons, J. Phys.: Condens. Matter 31, 495701 (2019)(Link) 

91). Xialiang Li, Haitao Lei, Jieyu Liu, Xueli Zhao, Shuping Ding, Zongyao Zhang, Xixi Tao, Wei Zhang, Weichao Wang, *Xiaohong Zheng, and *Rui Cao, Carbon Nanotubes with Cobalt Corroles for Hydrogen and Oxygen Evolution in pH 0-14 Solutions, Angew. Chem. Int. Ed. 57, 15070-15075 (2018)(Link) 

90). Jun Chen, Liwen Zhang, Lei Zhang, *Xiaohong Zheng, Liantuan Xiao, Suotang Jia, and Jian Wang, Photogalvanic effect induced fully spin polarized current and pure spin current in zigzag SiC nanoribbons, Phys. Chem. Chem. Phys. 20, 26744-26751 (2018)(Link) 

89). Xixi Tao, Peng Jiang, Lili Kang, Hua Hao, Lingling Song, Jie Lan, *Xiaohong Zheng, Lei Zhang, and Zhi Zeng, Realizing fully spin polarized transport in graphene nanoribbons with design of van der Waals vertical heterostructure leads, J. Phys. D: Appl. Phys. 51, 385301 (2018)(Link) 

88). Xiaoli Zhang, Miaomiao Han, Xiaohong Zheng, and Zhi Zeng, The suppression of Cu-related charge localized defects in Cu2ZnSnS4 thin film solar cells, Solar Energy Materials and Solar Cells 180, 118-122 (2018)(Link) 

87). Rui Pang, Bei Deng, *Xingqiang Shi, and *Xiaohong Zheng, Giant magnetic anisotropy of heavy p-elements on high-symmetry substrates: a new paradigm for supported nanostructures, New J. Phys. 20, 043056 (2018)(Link) 

86). Liwen Zhang, Zhizhou Yu, *Lei Zhang, *Xiaohong Zheng, Liantuan Xiao, Suotang Jia, and Jian Wang, A novel electrically controllable volatile memory device based on few-layer black phosphorus, J. Mater. Chem. C 6, 2460-2466 (2018)(Link) 

85). Xixi Tao, *Lei Zhang, *Xiaohong Zheng, Hua Hao, Xianlong Wang, Lingling Song, Zhi Zeng, and Hong Guo, h-BN/graphene van der Waals vertical heterostructure: a fully spin-polarized photocurrent generator, Nanoscale 10, 174-183 (2018)(Link) 

84). Kaishuai Yang, Chuanguo Zhang, Xiaohong Zheng, Xianlong Wang, and Zhi Zeng, The stability of graphene-based Mobius strip with vacancy and at high-temperature, Int. J. Mod. Phys. B 32, 1850350 (2018)(Link) 

83). Peng Jiang, Xixi Tao, Hua Hao, Lingling Song, *Xiaohong Zheng, Lei Zhang, and Zhi Zeng, Tuning a zigzag SiC nanoribbon as a thermal spin current generator, 2D Materials 4, 035001 (2017)(Link) 

82). *Xiaohong Zheng, Xiaobin Chen, Lei Zhang, Liantuan Xiao, Suotang Jia, Zhi Zeng, and Hong Guo, Perfect spin and valley polarized quantum transport in twisted SiC nanoribbons, 2D Materials 4, 025013 (2017)(Link) 

81). Hua Hao, Ting Jia, Xiaohong Zheng, and Zhi Zeng, Bias induced spin transitions of spin crossover molecules: the role of charging effect, Phys. Chem. Chem. Phys. 19, 7652-7658 (2017)(Link) 

80). Xiaobin Chen, Chenyi Zhou, Zhaohui Zhang, Jingzhe Chen, Xiaohong Zheng, Lei Zhang, Can-Ming Hu, and Hong Guo, Enhancing the spin transfer torque in magnetic tunnel junctions by ac modulation, Phys. Rev. B 95, 115417 (2017)(Link) 

79). Hua Hao, Xiaohong Zheng, Ting Jia, and Zhi Zeng, Magnetic crossover realized by electrical methods, National Conference on Theory and Magnetism 827, 012003 (2017)(Link) 

78). Peng Jiang, Xixi Tao, Hua Hao, Lingling Song, *Xiaohong Zheng, and Zhi Zeng, Thermal spin current in zigzag silicene nanoribbons with sp2-sp3 edges, RSC Advances 7, 28124-28129 (2017)(Link) 

77). Hua Hao, Ting Jia, Xiaohong Zheng, Lingling Song, and Zhi Zeng, Realizing bias-induced spin transition with high-spin Mn-II complexes at room temperature, J. Mater. Chem. C 5, 11598-11604 (2017)(Link) 

76). Nuo Liu, Lei Zhang, Xiaobin Chen, Xianghua Kong, *Xiaohong Zheng, and Hong Guo, Negative differential resistance in GeSi core-shell transport junctions: the role of local sp2 hybridization, Nanoscale 8, 16026-16033 (2016)(Link) 

75). Xixi Tao, Hua Hao, Xianlong Wang, *Xiaohong Zheng, and Zhi Zeng, Realizing stable fully spin polarized transport in SiC nanoribbons with dopant, Appl. Phys. Lett. 108, 233106 (2016)(Link) 

74). Gaofeng Zhao and *Xiaohong Zheng, First-principles study of electron transport properties of B80 molecular junctions, Chinese Journal of Atomic and Molecular Physics 33, 62-66 (2016)(Link) 

73). Wei-Jie Min, Hua Hao, Xian-Long Wang, *Xiao-Hong Zheng, and Zhi Zeng, Chemical substitution assisted ion sensing with organic molecules: a case study of naphthalene, RSC Advances 6, 6191-6195 (2016)(Link) 

72). P. L. Gong, L. F. Huang, X. H. Zheng, Y. S. Zhang, and Z. Zeng, Nonlocal and Local Electrochemical Effects of Doping Impurities on the Reactivity of Graphene, J. Phys. Chem. C 119, 10513-10519 (2015)(Link) 

71). Hua Hao, Xiaohong Zheng, Ting Jia, and Zhi Zeng, Room temperature memory device using single-molecule magnets, RSC Advances 5, 54667-54671 (2015)(Link) 

70). Rui-Ning Wang, *Xiao-Hong Zheng, Hua Hao, and Zhi Zeng, First-Principles Analysis of Corrugations, Elastic Constants, and Electronic Properties in Strained Graphyne Nanoribbons, J. Phys. Chem. C 118, 23328-23334 (2014)(Link) 

69). X. H. Zheng, H. Hao, J. Lan, X. L. Wang, X. Q. Shi, and Z. Zeng, First principles study on the electronic transport properties of C-60 and B-80 molecular bridges, J. Appl. Phys. 116, 073703 (2014)(Link) 

68). Peng Lai Gong, Liang Feng Huang, Xiao Hong Zheng, Teng Fei Cao, Ling Ling Song, and Zhi Zeng, The mechanisms of impurity-impurity and impurity-matrix interactions in B/N-doped graphene, Chem. Phys. Lett. 605, 56-61 (2014)(Link) 

67). Hong Ding, and *X. H. Zheng, Fully spin-polarized transport induced by B doping in graphene nanoribbons, Phys. Lett. A 378, 1945-1951 (2014)(Link) 

66). Tengfei Cao, Xiaohong Zheng, Liangfeng Huang, Penglai Gong, and Zhi Zeng, Hydrogen-Coverage-Dependent Stark Effect in Bilayer Graphene and Graphene/BN Nanofilms, J. Phys. Chem. C 118, 10472-10480 (2014)(Link) 

65). J. Lan, X. H. Zheng, H. Hao, X. L. Wang, X. Q. Shi, and Z. Zeng, Electrical switching in a Fe-thiacrown molecular device, J. Appl. Phys. 115, 013702 (2014)(Link) 

64). L. L. Song, X. H. Zheng, H. Hao, J. Lan, X. L. Wang, and Z. Zeng, Tuning the electron transport properties of boron-nitride nanoribbons with electron and hole doping, RSC Advances 4, 48212-48219 (2014)(Link) 

63). Q. Q. Wu, X. H. Zheng, X. Q. Shi, J. Lan, H. Hao, and Z. Zeng, Electron transport enhanced by electrode surface reconstruction: a case study of C-60-based molecular junctions, RSC Advances 4, 44718-44725 (2014)(Link) 

62). R. N. Wang, X. H. Zheng, J. Lan, X. Q. Shi, and Z. Zeng, Structural, magnetic and transport properties of carbon chains sandwiched between zigzag graphene nanoribbons, RSC Advances 4, 9172-9177 (2014)(Link) 

61). L. L. Song, X. H. Zheng, H. Hao, J. Lan, X. L. Wang, and Z. Zeng, Tuning the electronic and magnetic properties in zigzag boron nitride nanoribbons with carbon dopants, Comp. Mater. Sci. 81, 551-555 (2014)(Link) 

60). Jun Zhang, Chunsheng Liu, Xiaohong Zheng, Zhi Zeng, and Xin Ju, High-capacity hydrogen storage using Li-decorated Li2P sheet, Chem. Phys. Lett. 614, 129-135 (2014)(Link) 

59). Xiaohong Zheng, Jie Lan, Hua Hao, and Zhi Zeng, Application of GPU Acceleration in First Principles Transport Calculations, E-Science Technology & Application 4, 90-96 (2013)(Link) 

58). Teng Fei Cao, Liang Feng Huang, Xiao Hong Zheng, Wang Huai Zhou, and Zhi Zeng, Adsorption configurations and scanning voltage determined STM images of small hydrogen clusters on bilayer graphene, J. Chem. Phys. 139, 194708 (2013)(Link) 

57). Xianlong Wang, Xiaohong Zheng, and Zhi Zeng, Ferromagnetic sandwich-like wires constructed with transition metals and anthracene, Appl. Phys. Lett. 103, 032404 (2013)(Link) 

56). Teng Fei Cao, Liang Feng Huang, Xiao Hong Zheng, Peng Lai Gong, and Zhi Zeng, Understanding the stability and dynamical process of hydrogen trimers on graphene, J. Appl. Phys. 113, 173707 (2013)(Link) 

55). Jun Zhang, Xiaohong Zheng, Chunsheng Liu, and Zhi Zeng, Probing the Chemical Bonding and Electron Structure of the Benzoate model for Fe-MoF-5, MRS Proceedings 1548, mrss13-1548-n01-07 (2013)(Link) 

54). Liang Feng Huang, Guo Ren Zhang, Xiao Hong Zheng, Peng Lai Gong, Teng Fei Cao, and Zhi Zeng, Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon, J. Phys.: Condens. Matter 25, 055304 (2013)(Link) 

53). Lingju Guo, Xiaohong Zheng, Z. Zeng, and Chao Zhang, Spin orbital effect in lanthanides doped silicon cage clusters, Chem. Phys. Lett. 550, 134-137 (2012)(Link) 

52). J. Lan, X. H. Zheng, L. L. Song, R. N. Wang, and Z. Zeng, B, C and N adatoms effects on the transport properties in zigzag graphene nanoribbons, Solid State Commun. 152, 1635-1640 (2012)(Link) 

51). X. H. Zheng, L. F. Huang, X. L. Wang, J. Lan, and Z. Zeng, Band gap engineering in armchair-edged graphene nanoribbons by edge dihydrogenation, Comp. Mater. Sci. 62, 93-98 (2012)(Link) 

50). X. H. Zheng, X. L. Wang, L. F. Huang, H. Hao, J. Lan, and Z. Zeng, Stabilizing the ground state in zigzag-edged graphene nanoribbons by dihydrogenation, Phys. Rev. B(Rapid Communication) 86, 081408 (2012)(Link) 

49). Yan-hong Zhou, Ling-zhi Yuan, and Xiao-hong Zheng, Ab initio study of the transport properties of a light-driven switching molecule azobenzene substituent, Comp. Mater. Sci. 61, 145-149 (2012)(Link) 

48). X. H. Zheng, J. Lan, X. L. Wang, L. F. Huang, H. Hao, and Z. Zang, Orbital symmetry induced conductance switching in a graphene nanoribbon heterojunction with different edge hydrogenations, Appl. Phys. Lett. 101, 053101 (2012)(Link) 

47). Zhikun Wu, Man Wang, Jiao Yang, Xiaohong Zheng, Weiping Cai, Guowen Meng, Huifeng Qian, Huimin Wang, and Rongchao Jin, Well-Defined Nanoclusters as Fluorescent Nanosensors: A Case Study on Au25(SG)18, Small 8, 2028-2035 (2012)(Link) 

46). Hua Hao, XiaoHong Zheng, RuiNing Wang, Zhi Zeng, and H. Q. Lin, Spin-flip effect on transport properties of a Mn-3 molecule, J. Appl. Phys. 111, 07B303 (2012)(Link) 

45). Lingju Guo, Xiaohong Zheng, Chunsheng Liu, Wanghuai Zhou, and Zhi Zeng, An ab initio study of cluster-assembled hydrogenated silicon nanotubes, Computational and Theoretical Chemistry 982, 17-24 (2012)(Link) 

44). Hua Hao, Xiaohong Zheng, Lingling Song, Ruining Wang, and Zhi Zeng, Electrostatic Spin Crossover in a Molecular Junction of a Single-Molecule Magnet Fe-2, Phys. Rev. Lett. 108, 017202 (2012)(Link) 

43). R. N. Wang, X. H. Zheng, L. L. Song, and Z. Zeng, Ab initio study on the electronic transport properties of carbon nanotube intramolecular junctions, Physica Status Solidi A 208, 2803-2808 (2011)(Link) 

42). Lingju Guo, Xiaohong Zheng, and Zhi Zeng, Transition metal encapsulated hydrogenated silicon nanotubes: Silicon-based half-metal, Phys. Lett. A 375, 4209-4213 (2011)(Link) 

41). Liang Feng Huang, Xiao Hong Zheng, Guo Ren Zhang, Long Long Li, and Zhi Zeng, Understanding the Band Gap, Magnetism, and Kinetics of Graphene Nanostripes in Graphane, J. Phys. Chem. C 115, 21088-21097 (2011)(Link) 

40). L. L. Song, X. H. Zheng, R. N. Wang, H. Hao, and Z. Zeng, Electron transport in metallic carbon nanotubes with multiple B and N dopants, PHYSICA E 44, 411-415 (2011)(Link) 

39). Liang Feng Huang, Mei Yan Ni, Guo Ren Zhang, Wang Huai Zhou, Yong Gang Li, Xiao Hong Zheng, and Zhi Zeng, Modulation of the thermodynamic, kinetic, and magnetic properties of the hydrogen monomer on graphene by charge doping, J. Chem. Phys. 135, 064705 (2011)(Link) 

38). Liang Feng Huang, Mei Yan Ni, Yong Gang Li, Wang Huai Zhou, Xiao Hong Zheng, Ling Ju Guo, and Zhi Zeng, The thermodynamic and kinetic properties of hydrogen dimers on graphene, Surface Science 605, 1489-1496 (2011)(Link) 

37). R. N. Wang, X. H. Zheng, L. L. Song, and Z. Zeng, First-principles study on electron transport of carbon dumbbells C60-Cn-C60, J. Chem. Phys. 135, 044703 (2011)(Link) 

36). Hua Hao, XiaoHong Zheng, ZhenXiang Dai, and Zhi Zeng, Gate-induced switching in single-molecule magnet (MnCuII)-Cu-III, J. Appl. Phys. 110, 023702- 1 (2011)(Link) 

35). Z. W. Ouyang, N. M. Xia, S. S. Sheng, J. Chen, Z. C. Xia, G. H. Rao, and X. H. Zheng, Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles, Phys. Rev. B 83, 094417 (2011)(Link) 

34). X. H. Zheng, X. L. Wang, Z. X. Dai, and Z. Zeng, Tuning the transport properties of a (C-60)(2) bridge with electron and hole dopings, J. Chem. Phys. 134, 044708 (2011)(Link) 

33). J. Bernholc, V. Ranjan, X. H. Zheng, J Jiang, W Lu, T. A. Abtew, P. Boguslawski, M Buongiorno Nardelli, and V. Meunier, Properties of High-Performance Capacitor Materials and Nanoscale Electronic Devices, Proceedings of DoD 2010 Users Group Conference, IEEE Computer Society 2010, 195-200 (2011)(Link) 

32). R. N. Wang, X. H. Zheng, Z. X. Dai, H. Hao, L. L. Song, and Z. Zeng, Anchoring group effects in molecular devices: An ab initio study on the electronic transport of a carbon-dimer, Phys. Lett. A 375, 657-660 (2011)(Link) 

31). Liang Feng Huang, Mei Yan Ni, Xiao Hong Zheng, Wang Huai Zhou, Yong Gang Li, and Zhi Zeng, Ab Initio Simulations of the Kinetic Properties of the Hydrogen Monomer on Graphene, J. Phys. Chem. C 114, 22636-22643 (2010)(Link) 

30). Xiaohong Zheng, Wenchang Lu, Tesfaye A. Abtew, Vincent Meunier, and Jerry Bernholc, Negative Differential Resistance in C-60-Based Electronic Devices, ACS Nano 4, 7205-7210 (2010)(Link) 

29). L. L. Li, X. H. Zheng, and W. Xu, Magneto-optical absorption by InAs/GaSb-based type II and broken-gap quantum well, Physica E 43, 17-21 (2010)(Link) 

28). X. H. Zheng, L. L. Song, R. N. Wang, H. Hao, L. J. Guo, and Z. Zeng, Electronic structures and transverse electrical field effects in folded zigzag-edged graphene nanoribbons, Appl. Phys. Lett. 97, 153129 (2010)(Link) 

27). Xianlong Wang, Xiaohong Zheng, Meiyan Ni, Liangjian Zou, and Zhi Zeng, Theoretical investigation of Mobius strips formed from graphene, Appl. Phys. Lett. 97, 123103 (2010)(Link) 

26). L. L. Song, X. H. Zheng, R. L. Wang, and Z. Zeng, Dangling Bond States, Edge Magnetism, and Edge Reconstruction in Pristine and B/N-Terminated Zigzag Graphene Nanoribbons, J. Phys. Chem. C 114, 12145-12150 (2010)(Link) 

25). H. Hao, X. H. Zheng, Z. X. Dai, and Z. Zeng, Spin-filtering transport and switching effect of MnCu single-molecule magnet, Appl. Phys. Lett. 96, 192112 (2010)(Link) 

24). X. H. Zheng, X. L. Wang, T. A. Abtew, and Z. Zeng, Building Half-Metallicity in Graphene Nanoribbons by Direct Control over Edge States Occupation, J. Phys. Chem. C 114, 4190-4193 (2010)(Link) 

23). X. H. Zheng, I. Rungger, Z. Zeng, and S. Sanvito, Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons, Phys. Rev. B 80, 235426 (2009)(Link) 

22). X. H. Zheng, R. N. Wang, L. L. Song, Z. X. Dai, X. L. Wang, and Z. Zeng, Impurity induced spin filtering in graphene nanoribbons, Appl. Phys. Lett. 95, 123109 (2009)(Link) 

21). X. H. Zheng, G. R. Zhang, Z. Zeng, Victor M. Garcia-Suarez, and Colin J. Lambert, Effects of antidots on the transport properties of graphene nanoribbons, Phys. Rev. B 80, 075413 (2009)(Link) 

20). Xiao-Hong Zheng, Zhen-Xiang Dai, Xian-Long Wang, and Zhi Zeng, Effects of B and N doping on spin polarized transport in graphene nanoribbons, Acta Physica Sinica 58, 0-0 (2009)(Link) 

19). Xiaohong Zheng, Zhenxiang Dai, and Zhi Zeng, The size effects of electrodes in molecular devices: an ab initio study on the transport properties of C-60, J. Phys.: Condens. Matter 21, 145502 (2009)(Link) 

18). Yan-hong Zhou, Xiao-hong Zheng, Ying Xu, and Zhao Yang Zeng, First-principles study on the differences between the equilibrium conductance of carbon and silicon atomic wires, J. Phys.: Condens. Matter 20, 045225 (2008)(Link) 

17). X. Q. Shi, Z. X. Dai, G. H. Zhong, X. H. Zheng, and Z. Zeng, Spin-polarized transport in carbon nanowires inside semiconducting carbon nanotubes, J. Phys. Chem. C 111, 10130-10134 (2007)(Link) 

16). X. L. Wang, Z. Zeng, X. H. Zheng, and H. Q. Lin, First-principles investigations of Co- and Fe-doped SnO2, J. Appl. Phys. 101, 09H104 (2007)(Link) 

15). Guohua Zhong, Jianglong Wang, Zhi Zeng, Xiaohong Zheng, and Haiqing Lin, Induced effects by the substitution of Mg in MgCNi3, J. Appl. Phys. 101, 09G520 (2007)(Link) 

14). Z. X. Dai, X. Q. Shi, X. H. Zheng, X. L. Wang, and Z. Zeng, Ab initio investigations of the transport properties of a Ge7 cluster, Phys. Rev. B 75, 155402 (2007)(Link) 

13). Yan-Hong Zhou, Ying Xu, and Xiao-Hong Zheng, First principles study on the effects of the H2O molecules on the transport properties of a carbon wire, Acta Physica Sinica 56, 1093-1098 (2007)(Link) 

12). Yan-hong Zhou, Xiao-hong Zheng, Ying Xu, and Zhao Yang Zeng, Current rectification by asymmetric molecules: An ab initio study, J. Chem. Phys. 125, 244701 (2006)(Link) 

11). Yan-Hong Zhou, Xiao-Hong Zheng, Ying Xu, Zhao-Yang Zeng, and Zhi Zeng, Effects of relative orientation of molecules on electron transport in molecular devices, Chin. Phys. Lett. 23, 2609-2612 (2006)(Link) 

10). X. Q. Shi, Z. X. Dai, X. H. Zheng, and Z. Zeng, Ab initio electron transport study of carbon and boron-nitrogen nanowires, J. Phys. Chem. B 110, 16902-16907 (2006)(Link) 

9). Xiaohong Zheng, Xingqiang Shi, Zhenxiang Dai, and Zhi Zeng, Transport properties of the Au-32 cluster with fullerene symmetry, Phys. Rev. B 74, 085418 (2006)(Link) 

8). S. H. Yu, and X. H. Zheng, New region subdivision for Branch and bound algorithm, Mathematics in Economics 3, 311-314 (2006)(Link) 

7). Z. X. Dai, X. Q. Shi, X. H. Zheng, and Z. Zeng, Effect of gating on the transport properties of a Si-4 cluster, Phys. Rev. B 73, 045411 (2006)(Link) 

6). Z. X. Dai, X. H. Zheng, X. Q. Shi, and Z. Zeng, Effects of contact geometry on transport properties of a Si-4 cluster, Phys. Rev. B 72, 205408 (2005)(Link) 

5). X. Q. Shi, X. H. Zheng, Z. X. Dai, Y. Wang, and Z. Zeng, Changes of coupling between the electrodes and the molecule under external bias bring negative differential resistance, J. Phys. Chem. B 109, 3334-3339 (2005)(Link) 

4). X. H. Zheng, W. Zheng, Y. D. Wei, Z. Zeng, and J. Wang, Thermoelectric transport properties in atomic scale conductors, J. Chem. Phys. 121, 8537-8541 (2004)(Link) 

3). X. H. Zheng, Y. Xu, Z. Zeng, and E. Baggio-Saltovitch, Magnetic properties of MgCNi3-xFex by the first-principles study, Physica C 408, 154-156 (2004)(Link) 

2). X. H. Zheng, L. M. Kuang, and Z. Y. Zeng, Controlling of charge solitons in a one-dimensional tunnel junction array, Acta Physica Sinica 51, 377-381 (2002)(Link) 

1). X. H. Zheng, Z. Y. Zeng, and L. M. Kuang, Double-charge solitons in one-dimensional array of mesoscopic junctions, Acta Physica Sinica 50, 1984-1990 (2001)(Link)