研究领域
低维材料体系生长及其形貌调控的分子动力学模拟研究
二维晶体结构预测及其压电性质的第一性原理研究
二维半导体光电器件设计的理论研究
科研项目
主持科研项目:
1、 国家自然科学基金面上项目“第V族新型二维压电晶体结构预测与性质调控的第一性原理研究”（No：11974299, 62万）2020.1-2023.12
2、 国家自然科学基金青年基金“碳化硅纳米颗粒表面石墨烯量子点生长机制与形貌调控的理论研究”（No：11204260, 25万）2013.1-2015.12
3、 国家自然科学基金理论物理专项“碳化硅表面硅原子解吸附行为与石墨烯生长机制”，（No：11047135，4万），2011.1-2011.12
4、 湖南省创新平台开放基金项目“过渡金属原子掺杂的铜金属表面石墨烯生长与形貌调控机制的理论研究”，（No：17K086，6万），2017.1-2019.12
5、 湖南省自然科学基金“铜与镍金属表面石墨烯成核与生长机制的多尺度模拟研究”，（No: 14JJ7037, 2万），2014.1-2016.12
6、 湘潭大学博士科研启动项目“二维石墨晶体的生长机制与形貌控制”，（No：09QDZ08，8万），2009.1-2011.12
7、 湘潭大学自然科学研究项目“硅基Graphene量子结构生长与形貌控制的分子动力学研究”，（No：10XZX04，0.5万）2011.1-2012.12
主持教改项目:
1、湖南省普通高等学校教学改革研究项目"基于韶峰实验班探索物理学专业拔尖人才培养新模式的研究"(湘教通[2016]400号，2万），2016.6-2019.6
近期论文
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(1) Yu Xu, Zhenqing Li, Chaoyu He*, Jin Li, Tao Ouyang, Chunxiao Zhang, Chao Tang*, Jianxin Zhong, Intrinsic piezoelectricity of monolayer group IV–V MX2: SiP2, SiAs2, GeP2, and GeAs2, Applied Physics Letters, 2020, 116: 023507
(2) Guang Wu, Jin Li*, Chao Tang*, Tao Ouyang, Chaoyu He, Chunxiao Zhang, Jianxin Zhong, A comparative investigation of metal (Li, Ca and Sc)-decorated 6,6,12-graphyne monolayers and 6,6,12-graphyne nanotubes for hydrogen storage, Applied Surface Science, 2019, 498, 143763
(3) Xuling Xiao, Jun Li, Jie Wu, Donglin Lu, Chao Tang*, Negative photoconductivity observed in polycrystalline monolayer molybdenum disulfide prepared by chemical vapor deposition, Applied Physics A, 2019, 125:765
(4) Xizhi Shi, Chaoyu He*, Chris J. Pickard*, Chao Tang*, Jianxin Zhong, Stochastic generation of complex crystal structures combining group and graph theory with application to carbon, Phys. Rev. B, 2018, 97: 014104
(5) Zhenqing Li, Chaoyu He*, Tao Ouyang, Chunxiao Zhang, Chao Tang*, Rudolf A.Romer, Jianxin Zhong. New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricity, Phys. Rev. Applied, 2018, 9(4): 044032
(6) Chao Tang*, Qinwen Li, Chunxiao Zhang, Chaoyu He, Jin Li, Tao Ouyang*, Hongxing Li, Jianxin Zhong, Stability and magnetic properties of SnSe monolayer doped by transition metal atom (Mn, Fe, and Co): a frst-principles study, J. Phys. D: Appl. Phys. , 2018.5.25, 51: 245004~245013
(7) Xiao Cui, Tao Ouyang*, Jin Li, Chaoyu He, Jianxin Zhong, Chao Tang*, Enhancing thermoelectric performance of gamma-graphyne nanoribbons by introducing edge disorder, Phys. Chem. Chem. Phys., 2018.3.6, 20: 7173~7179
(8) XiZhi Shi, ChaoYu He*, Tao OuYang, ChunXiao Zhang, Chao Tang*, JianXin Zhong, First-principles prediction of a low energy edge-reconstruction for zigzag phosphorene nanoribbons, J. Phys. D: Appl. Phys., 2017, 50 , 065304
(9) Chaoyu He*, ChunXiao Zhang, Chao Tang*, Tao Ouyang, Jin Li, Jianxin Zhong, Five low energy phosphorene allotropes constructed through gene segments recombination, Scientific Reports, 2017, 7:46431
(10) Na Li, Tao Ouyang*, Chao Tang*, Chaoyu He, Chunxiao Zhang, Jin Li, Jianxin Zhong, Optimizing the thermoelectric performance of graphyne nanotube via applying radial strain, J. Appl. Phys. 2017, 121: 125112
(11) Kang Liu, PinglanYan, Jin Li*, Chaoyu He, Tao Ouyang, Chunxiao Zhang, Chao Tang*, Jianxin Zhong, Efect of hydrogen passivation on the decoupling of graphene on SiC(0001) substrate: First-principles calculations, Sci. Rep., 2017, 7: 8461
(12) Mei Xu, Chaoyu He*, Chunxiao Zhang, Chao Tang*, Jianxin Zhong, First-principles prediction of a novel hexagonal phosphorene allotrope, Phys. Status Solidi RRL 10, 2016, No.7, 563–565
(13) Qide Tang, C. X. Zhang*, Chaoyu He, Chao Tang*, Jianxin Zhong, Charge transport properties of graphene: Effects of Cu-based gate electrode, J. Appl. Phys., 2016, 120: 035101
(14) C.Tang, Lijun Meng, Huaping Xiao and Jianxin Zhong*, Growth of Graphene Structure on 6H-SiC(0001): Molecular Dynamics Simulation, J. Appl. Phys., 2008, 103: 063505-063510
(15) C.Tang, L.J.Meng, L.Z.Sun, K.W.Zhang, J.X.Zhong*. Molecular dynamics study of ripples in graphene nanoribbons on 6H- SiC(0001): Temperature and size effects, J. Appl. Phys. 2008, 104: 113536-113541
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