个人简介

何朝宇，男，汉族，贵州普定人，1987年8月15日出生; 2007年加入中国共产党，2009年毕业于湘潭大学材料与光电物理学院物理学专业，获物理学理学学士学位; 2009年9月保送湘潭大学物理与光电工程学院（原材料与光电物理学院）凝聚态物理专业硕博连读研究生；2015年毕业于湘潭大学物理与光电工程学院，获凝聚态物理学理学博士学位； 博士期间师从国家教学名师、长江学者特聘教授钟建新，在凝聚态物理领域从事碳、硅、硼氮、碳氢新晶体结构的第一性原理预测及物性研究。近年来主要利用第一性原理方法对新型IV族、V族亚稳态晶体结构进行预测，对新型轻元素功能材料（超硬、太阳能、光催化、压电等）进行理论设计，同时对基于周期性图论和随机策略的晶体结构预测方法进行探索并开发了自己的晶体结构搜索程序RG2(登记号：2020SR0295721)，在计算凝聚态材料与物理等领域中具有较好的学术影响和丰富的研究成果；目前已在国际重要期刊上发表SCI学术论文80余篇，其中第一或通讯作者共31篇（包括Phys. Rev. Lett. 1篇, Phys. Rev. B快速通讯 1篇, Phys. Rev. B 3篇, Phys. Rev. Appl. 1篇, Carbon 1篇, Appl. Phys. Lett. 1篇）；相关研究工作发表后受到国内外同行专家们的广泛关注，被Nat. Mater., Phys. Rev. Lett., Phys. Rev. B, J. Am. Chem. Soc., Carbon 等重要国际学术期刊引用已达1000余次；个人Google-scholar统计h因子19，h-10因子30；2012年以来，长期为Carbon, Scientific Report, Nanoscale, PSS-RRL, JPCM, JPD, EPL等杂志兼职审稿。目前主持国家自然科学基金三项(11647063，11704319, 11974300)；曾获"宝钢教育基金优秀学生奖","博士研究生国家奖学金","湘潭大学研究生校长奖"和“国家励志奖学金”等荣誉。

研究领域

二维IV族(碳、硅)、V族（磷）元素晶体结构的第一性原理预测； 三维IV族（碳、硅）、V族（磷）元素晶体结构的第一性原理预测； 基于图论和群论的随机结构产生方法研究及软件开发（RG2); 潜在太阳能电池硅晶体材料的第一性原理预测； 二维压电材料的第一性原理预测；

主持的科研项目： 基于商图和随机策略的晶体结构预测方法及其算法实现. 国家自然科学基金面上项目. 2020-2023，62万. 项目编号：11974300. 新型太阳能电池硅晶体材料的第一性预测. 国家自然科学基金青年项目. 2018-2020，25万. 项目编号：11704319. 新型功能磷烯异构体的第一性原理预测及物性研究. 国家自然科学基金（理论物理专款）. 2017-2018，5万. 项目编号：11647063. 新型功能硅晶体结构的第一性原理预测及物性研究. 湘潭大学校级科研项目. 2017-2018，2.5万. 表面氧化对磷烯结构和光电性质影响的第一性原理研究. 湘潭大学人才引进科研启动项目. 2015-2021，6.2万.

近期论文

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Chaoyu He*, X. Shi, S. J. Clark, J. Li, C. J. Pickard*, T. Ouyang, C. Zhang, C. Tang and J. Zhong, Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles, Physical Review Letters 121, 175701 (2018), SCI 一区 TOP期刊，IF=8.84(物理类顶级期刊PRL), PRB等引用14次. H. Yin (本科生), X. Shi, Chaoyu He*, M. Martinez-Canales*, J. Li, C. J. Pickard*, C. Tang, T. Ouyang, C. Zhang and J. Zhong, Stone-Wales graphene: A two-dimensional carbon semimetal with magic stability, Physical Review B (R) 99, 041405 (2019), SCI 二区TOP期刊，IF=3.84 (凝聚态物理领域顶级期刊，指导15级本科生参与科学研究,湘大本科生在该杂志该栏目发表一作论文的第一人), PRB等引用17次. Z. H. Gong (本科生), X. Shi, J. Li*, S. F. Li, Chaoyu He*, T. Ouyang, C. Zhang C. Tang and J. Zhong, Theoretical prediction of a low-energy Stone-Wales graphene with intrinsic type-III Dirac-cone, Physical Review B 101, 155427 (2020), SCI 二区TOP期刊，IF=3.84, (指导16级本科生参与科研). N. Zhou, P. Zhou*, J. Li, Chaoyu He*, J.X.Zhong, Si-Cmma: A silicon thin film with excellent stability and Dirac nodal loop, Physical Review B 100 (11), 115425 (2019), SCI 二区TOP期刊，IF=3.84 (凝聚态物理领域顶级期刊)，被PRB等引用6次. X. Shi,Chaoyu He*,C. J. Pickard*, C. Tang* and J. Zhong, Stochastic generation of complex crystal structures combining group and graph theory with application to carbon, Physical Review B 97,014104 (2018), SCI 二区TOP期刊，IF=3.84, 被PRL, PRB等引用29次.（凝聚态物理领域顶级期刊，指导博士开发的晶体结构搜索代码RG2，软件方法类论文）. Z. Li, Chaoyu He*, T. Ouyang, C. Zhang, C. Tang*, R. A. R?mer* and J. Zhong*, Allotropes of Phosphorus with Remarkable Stability and Intrinsic Piezoelectricity, Physical Review Applied 9, 044032 (2018), SCI 一区TOP期刊，IF=4.78,被Scientific Report, JPD等引用8次. Chaoyu He*, C. X. Zhang, H. Xiao, L. Meng and J. X. Zhong*, New candidate for the simple cubic carbon sample shock-synthesized by compression of the mixture of carbon black and tetracyanoethylene,Carbon 112, 91 (2017), SCI 一区TOP期刊，IF=7.08,被PRL, PRB, Carbon等引用15次. Y. Xu, Z.Li, Chaoyu He*, J. Li, T. Ouyang, C. Zhang, C. Tang* and J. X. Zhong, Intrinsic piezoelectricity of monolayer group IV-V MX2: SiP2, SiAs2, GeP2, and GeAs2, Applied Physics Letter, 116, 023103 (2020). N. Jiao, P. Zhou, L. Xue, Chaoyu He* and L. Sun*, First-principles prediction of two atomic-thin phosphorene allotropes with potentials for sun-light-driven water splitting, Journal of physics. Condensed matter: 31, 075702 (2019), SCI 二区，IF=2.62. Z.Q. Li, X.Z. Shi, Chaoyu He*, T. Ouyang, J.Li, C.X. Zhang, S.F. Zhang, C. Tang*, R.A R?mer, J.X. Zhong*, Ge3P2: New Viable Two-Dimensional Semiconductors with Ultrahigh Carrier Mobility, Applied Surface Science 497, 143803 (2019), SCI 一区，IF=4.43. J. Li, Chaoyu He*, K. Zhang* and J.X. Zhong, First-principles prediction of a new ground state for surface-oxidized phosphorene with remarkable piezoelectricity, Journal of Physics D: Applied Physics 52, 295301 (2019), SCI 二区，IF=2.53. P. L. Sun, Chaoyu He*, C. X. Zhang, H. P. Xiao*, and J. X. Zhong, First-principles prediction of three new graphitic C3N4 allotropes with potentials for application in sun-light-driven water splitting, Physica B, 562, 131 (2019), SCI 四区，IF=1.53. N. Jiao, P. Zhou, Chaoyu He*, J.J. He, X. L. Liu and L. Sun*, Low-Energy GeP Monolayers with Natural Type-II Homojunctions for Sun-Light-Driven Water Splitting, Physica Status Solidi-Rapid Research Letters Accepted,SCI 二区，IF=3.72. J. Li, T. Zhao, Chaoyu He* and K. Zhang*, Surface oxidation: an effective way to induce piezoelectricity in 2D black phosphorus, Journal of Physics D: Applied Physics 51, 12LT01 (2018), SCI 二区，IF=2.53. X. Yang, Chaoyu He*, X. Shi, J. Li, C. Zhang, C. Tang and J. Zhong, First-principles prediction of two hexagonal silicon crystals as potential absorbing layer materials for solar-cell application, Journal of Applied Physics 124 , 163107 (2018), SCI 三区，IF=2.17. Chaoyu He*, C. Zhang, C. Tang*, T. Ouyang, J. Li and J. Zhong, Five low energy phosphorene allotropes constructed through gene segments recombination, Scientific Reports 7, 46431 (2017), SCI 二区，IF=4.12，被Advanced Energy material, JPCC等引用11次. J. Tang,J. Li*, Chaoyu He*, C. Zhang, T. Ouyang, C. Tang, H. Xiao and J. Zhong, Ab initio prediction of a new allotrope of two-dimensional silicon, Physica Status Solidi-Rapid Research Letters 11, 1600422 (2017)，SCI 二区，IF=3.72,被JPCC引用1次. N. Tan, Chaoyu He*, C. Tang and J. Zhong*, First-principles study of the structures and fundamental electronic properties of two-dimensional P0.5As0.5 alloy, Physica Status Solidi (b) 254, 1700157 (2017), SCI 三区，IF=1.73. X. Shi,Chaoyu He*,T. OuYang,C. Zhang,C. Tang* and J. Zhong, First-principles prediction of a low energy edge-reconstruction for zigzag PNRs, Journal of Physics D: Applied Physics 50, 065304 (2017), SCI 二区，IF=2.53,被Applied Surface Science引用1次. Chaoyu He*, C. X. Zhang, X. Y. Peng, L. J. Meng, C. Tang and J. Zhong*, Direct and quasi-direct band gap silicon allotropes with remarkable stability, Physical Chemistry Chemical Physics,18, 9682 (2016), SCI 二区，IF=4.28，被PRL, Nano energy, PCCP等引用30次. M. Xu, Chaoyu He*, C. Zhang, C. Tang* and J. Zhong, First-principles prediction of a novel hexagonal phosphorene allotrope, Physica Status Solidi- Rapid Research Letters 10, 563 (2016), SCI 二区，IF=3.72,被JPCC, PCCP等引用13次. Chaoyu He and J. Zhong*, M585, a low energy superhard monoclinic carbon phase, Solid State Communications 181, 24 (2014), SCI 三区，IF=1.55，被PRL, PRB等引用24次. Chaoyu He, L. Sun*, C. Zhang and J. Zhong*, Two viable three-dimensional carbon semiconductors with entirely sp2 configuration, Physical Chemistry Chemical Physics，15, 680 (2013), SCI 二区，IF=4.28,被PRB, Carbon, AFM等引用35次. Chaoyu He and J. X. Zhong*, Structures, stability, mechanical and electronic properties of a-boron and a*-boron, AIP Advances 3, 042138 (2013), SCI 四区，IF=1.65, 被PRB等引用11次. Chaoyu He, L. Z. Sun*, C. X. Zhang and J. Zhong*, Low energy three-dimensional hydrocarbon crystal from cold compression of benzene, Journal of Physics. Condensed Matter: 25, 205403 (2013), SCI 二区，IF=2.62, 被Nat. Mater., JACS等引用10次. Chaoyu He, L. Sun*, C. Zhang, X. Peng, K. Zhang and J. Zhong*, Z-BN: a novel superhard boron nitride phase, Physical Chemistry Chemical Physics, 14, 10967 (2012)，SCI 二区，IF=4.28, 被PRL, JACS，JPCL，Carbon等引用55次. Chaoyu He,L. Sun*,C. Zhang, X. Peng, K. Zhang and J. Zhong*, Four superhard carbon allotropes: a first principles study, Physical Chemistry Chemical Physics, 14, 8410 (2012), SCI 二区，IF=4.28, 被PRB, JACS等引用61次. Chaoyu He, C. X. Zhang, L. Z. Sun*, N. Jiao, K. W. Zhang and J. Zhong*, Structure, stability and electronic properties of tricycle type graphane, Physica Status Solidi-Rapid Research Letters 6, 427 (2012), SCI 二区，IF=3.72,被PRB, Nanoscale, JPCC等引用35次. Chaoyu He, L. Sun*, C. Zhang, X. Peng, K. Zhang and J. Zhong*, New superhard carbon phases between graphite and diamond, Solid State Communications 152, 1560 (2012), SCI 三区，IF=1.55，被PRL，PRB, CARBON等引用75次. Chaoyu He, L. Z. Sun and J. Zhong, Prediction of Superhard Carbon Allotropes from the Segment combination method, Journal of Superhard Materials 34, 386-399 (2013), SCI 四区，IF=0.63，邀请综述，被RSC Advance等引用11次. Chaoyu He, Z. Yu, L. Z. Sun* and J. X. Zhong*, Work Functions of Boron Nitride Nanoribbons: First- Principles Study, Journal of Computational and Theoretical Nanoscience 9, 16 (2012),被 ACS applied materials & interfaces等引用15次.