• 姓名: 何朝宇
  • 职称: 副教授
  • 学位: 博士
  • 湘潭大学
  • 物理与光电工程学院
博、硕导师
副教授
hechaoyu@xtu.edu.cn
物理与光电工程学院
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、***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 90余篇,其中 第一或通讯作者共38篇(包括 Phys. Rev. Lett. 1篇, Phys. Rev. B快速通讯 1篇, Phys. Rev. B 3篇, JPCL 3篇,Phys. Rev. Appl., Carbon,Nanoscale和Appl. Phys. Lett. 各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 2000余次;个人Google-scholar统计 h因子25h-10因子47;2012年以来,长期为Carbon, Scientific Report, Nanoscale, PSS-RRL, JPCM, JPD, EPL等杂志兼职审稿。 已主持完成国自科理论物理专款(No.11647063)和青年项目(No.11704319)各1项,正主持国自科面上项目1项(No.11974300) 和湖南省***基金1项(2021JJ10036);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。

承担课程:物理学专业研究生《群论》、物理学专业本科生《分析力学》、《FORTRAN程序设计》、《计算物理基础》等

研究方向

主要研究方向:

?   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.

?湖南省***基金:“基于群论和商图的晶体结构随机搜索软件及其应用”, 2020-2023,50万. 项目编号:2021JJ10036.

? 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***科研启动项目. 2015-2021,6.2万.

RG2程序介绍 (登记号:2020SR0295721):

RG2是一套利用随机策略( Random strategy),结合群论( Group theory)和图论( Graph theory)的 特征晶体结构搜索代码; RG2 随机产生结构,依据 距离矩阵就近原则建立结构的 商图,保持 商图守恒对结构进行 快速整理和优化,可快速高效提供 较合理具有可描述结构特征的晶体结构(如 3 配位sp2 、高压 、高压 4 配位sp3 碳、硅、锗sp2-sp3混合的 C3N4Si3N42-3, 2-4, 2-3-4混合配位晶体结构( 石墨相 C3N4, H2O, SiO2等);对混合配位和多配位晶体结构(金属合金材料等)也有很好的结构产生效率。RG2已成功预测出281个三维sp3碳晶体结构(Phys. Rev. B, 97, 014104, 2018),发现了最大禁带宽度碳晶体I-43d(Phys. Rev. Lett., 121, 175701, 2018)和低能量直接带隙半导体硅(J. Appl. Phys, 124 , 163107, 2018);扩展到二维后的RG2发现众多全新低能量的二维碳结构(Phys. Rev. B, 99, 041405R, 2019; J. Phys. Chem. Lett.,12,732, 2021)和Type-III型Dirac半金属二维碳(Phys. Rev. B, 101, 155427, 2020);发现大量低能量二维石墨炔异构体(Physica Status Solidi-RRL, 14, 2000437, 2020)和具有Dirac-nodal loop的石墨炔(Nanoscale,13,3564,2021);搜索到低能量二维薄膜硅Dirac半金属(Phys. Rev. B, 100, 115425, 2019);发现一系列低能量二维GexPy薄膜材料(Appl. Surf. Sci., 497, 143803 (2019); Physica. Status Solidi RRL, 13, 1900470,2019);搜索到二维石墨相C3N4的新基态(Physica E,128,114535,2021)和具有本征磁性的二维碳氮材料(J. Phys. D: Applied Physics, 53, 495002, 2020)。

招生要求: 有物理、数学或计算机专业背景;热爱编程,有C语言或FORTRAN编程基础和经验;热爱物理学,热爱祖国,热爱中国共产党;尊重且热爱科研和教育事业 ;有志向攻读博士学位,愿继续从事科学研究者优先考虑!

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论文专著

1. 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, 被PRB等引用33次.

2. 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18次.

3. 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9次.

4. 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=3.8 4, ( 指导 15 级本科生参与科研 ), 被PRB等引用39次.

5. 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(15), 155427 (2020), SCI 二区 TOP 期刊, IF=3.84, ( 指导 16 级本科生参与科研 ) 被Carbon等引用13次.

6. 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, 被PRB等引用10次 .

7. 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, (指导研究生开发晶体结构搜索代码 RG2 被PRL, PRB等引用42次 . ( 被选中 Kaleidoscope )

8. Jin Li, ShiFang Li, Tao Ouyang*, ChunXiao Zhang, Chao Tang, Chaoyu He*, JianXin Zhong, Two-Dimensional Carbon Allotropes and Nanoribbons based on 2,6-Polyazulene Chains: Stacking Stabilities and Electronic Properties, Journal of Physical Chemistry Letters, 12, 732 (2021) ,SCI 一区 TOP 期刊, IF=6.71.

9. Yujie Liao, XiXhi Shi, Tao Ouyang, Jin Li*, ChunXiao Zhang, Chao Tang, Chaoyu He*, JianXin Zhong, New Two-Dimensional Wide Band Gap Hydrocarbon Insulator by Hydrogenation of a Biphenylene Sheet, Journal of Physical Chemistry Letters, 12, 8889-8896 (2021) ,SCI 一区 TOP 期刊, IF=6.71.

10.  Pinlan Yan, Tao Ouyang*, Chaoyu He*, Jin Li*, C. X. Zhang, C. Tang and J. X. Zhong, Newly discovered graphyne allotrope with rare and robust Dirac node loop, Nanoscale, 13, 3564, (2021) ,SCI 一区 TOP 期刊 .

11.  Tao Ouyang,* Chunfeng Cui, Xizhi Shi, Chaoyu He,* Jin Li, Chunxiao Zhang, Chao Tang, and Jianxin Zhong, Systematic Enumeration of Low-Energy Graphyne Allotropes Based on a Coordination-Constrained Searching Strategy, Physica Status Solidi-RRL, 14, 2000437 (2020), SCI 二区, IF=3.72.

12.  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 Letters, 116, 023103 (2020).

13.  Luneng Zhao, XiZhi Shi, Jin Li*, Tao Ouyang, ChunXiao Zhang, Chao Tang, Chaoyu He* and JianxXin Zhong, New structure candidates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride, Physica E, 128, 114535 (2021) , SCI 二区, IF=3.57 .

14.  Z. R. Gao, H. P. Xiao, C. X. Zhang*, Chaoyu He* and J. X. Zhong, Ferromagnetism triggered by nitrogen defects in graphitic carbon nitride, JPD: Applied Physics, 53,495002 (2020), SCI 二区, IF=2.53 .

15.  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 ,被 Structure Chemistry 等引用 2 .

16.  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-RRL, 13, 1900470 (2019)SCI 二区, IF=3.72 ,被 PRB 等引用 2 .

17.  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 ,被 PRB 等引用 3 .

18.  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 .

19.  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 ,被 PRB 等引用 5 .

20.  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, JPD 等引用 5 .

21.  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 .

22. 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AEM, JPCC等引用13次.

23. 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-RRL, 11, 1600422 (2017)SCI 二区, IF=3.72 ,被 PRB 等引用 3 .

24.  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 ,被 AFM, PRM 等引用 2 .

25. 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.

26. 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33次.

27. M. Xu, Chaoyu He*, C. Zhang, C. Tang* and J. Zhong, First-principles prediction of a novel hexagonal phosphorene allotrope, Physica Status Solidi-RRL, 10, 563 (2016), SCI 二区, IF=3.72,被JPCC, PCCP等引用14次.

28. 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.

29.  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41次.

30.  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.

31. 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12次.

32. 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60次.

33. Chaoyu He,L. Sun*,C. Zhang, X. Peng, K. Zhang and J. Zhong*, Four superhard carbon allotropes: a first principles study, PCCP, 14, 8410 (2012), SCI 二区, IF=4.28, 被PRB, JACS等引用63次.

34. 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-RRL 6, 427 (2012), SCI 二区, IF=3.72,被PRB, Nanoscale, JPCC等引用42次.

35.  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81次.

36.  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) , SCIE IF=0.63 ,邀请综述,被RSC Advance等引用10次.

37.   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16次.

研究方向

基于第一性原理计算的晶体结构预测及物性计算