姓名：牛春要 职称：讲师 最终学历：博士

一、个人经历：

牛春要，郑州大学物理工程学院讲师，校聘副教授，硕士生导师。

2009年毕业于郑州大学物理系，获理学学士学位。

2014年毕业于中国科学院物理研究所，获理论物理博士学位。

2014年7月到郑州大学物理工程学院任教至今。

2016-2017年，美国威廉玛丽学院访问学者。

二、研究方向：

主要从事计算凝聚态物理方面的研究，通过第一性原理计算方法研究材料的物性，探索微观系统的物理规律，预测材料的结构和物理性质及其相互关系。包括半导体表面界面物性研究，新结构新性能材料的预测，低维材料电子结构及物性调控，高性能催化剂的理论计算及设计等。

三、代表性成果：

主持了国家自然科学基金青年基金项目一项，郑州大学优秀青年教师发展基金一项，郑州大学学科推进计划项目一项，国家博士后一等资助一项，作为主要参与人参与完成国家自然科学基金四项。发表SCI收录论文50余篇，其中第一作者或通讯作者20余篇。

四、代表性论文如下：

1.Chunxiang Zhao, Xiaolin Cai, Liangliang Liu, Chengyan Liu, Zaiping Zeng, Chunyao Niu*, Congxin Xia, Yu Jia, Structural, Topological, and Superconducting Properties of Two‐Dimensional Tellurium Allotropes from Ab Initio Predictions;Advanced Theory and Simulations,4 (2021) 2000265

2.Caiping Wang, Shouyan Bai , Chunxiang Zhao , Weiyang Yu, Yi Yang, Youmei Chen, Chun-Yao Niu*,Arsenic K4 crystal: A new stable direct-gap semiconductor allotrope; Solid State Communications 323 (2021) 114128

3.Wenzhuo Wu#, Chunyao Niu#，Qingyong Tian, Wei Liu, Guowei Niu, Xiaoli Zheng, Chong Li, Yu Jia*, Cong Wei and Qun Xu*, Amorphous-MoO3x/MoS2 heterostructure: in situ oxidizing amorphization of S-vacancy MoS2 for enhanced alkaline hydrogen evolution; Chem. Commun., 56 (2020) 14701

4.Yifan Xu, Teng Fern Tay, Lingling Cui, Jiajie Fan, Chunyao Niu* , Dehong Chen, Zheng Xiao Guo, Chenghua Sun, Xiao Li Zhang,* and Rachel A. Caruso,Trace-Level Fluorination of Mesoporous TiO2 ImprovesPhotocatalytic and Pb(II) Adsorbent Performances;Inorg. Chem. 59 ( 2020)17631−17637

5. Hongyan Wang, Zhe Fang, Yu Zhao, Shichang Yao, Jingan Li, Jianfeng Wang, Shijie Zhu, Chunyao Niu*, Yu Jia, Shaokang Guan*; Effects of alloy elements on adsorption of fibrinogen on biodegradable magnesium alloys surfaces: The MD imulations and experimental studies; Applied Surface Science 512 (2020) 145725

6. Kiel T. Williams, Yuan Yao, Jia Li, Li Chen, Hao Shi, Mario Motta, Chunyao Niu, et al; Direct comparison of many-body methods for realistic electronic Hamiltonians; Phys. Rev. X, 10（2020）011041

7. Chun-Xiang Zhao, Jia-Qi Wang, CaiPing Wang,Chun-Yao Niu*, JianTao Wang, Yu Jia; A superhard carbon allotrope: sc-C46 carbon; Europhysics letters, 128 (2019) 36003

8. Shouyan Bai, Chun-Yao Niu*, Chong Li, Chunxiang Zhao, and Yu Jia; Ferromagnetic, antiferromagnetic, and Peierls distortion states in IVA-VA nanoribbons; Appl. Phys. Lett. 115, 162401 (2019)

9. Xiaoyu Huang, Chun-Yao Niu*, Jinping Zhang, Aihua Wang, Yu Jia, and Yuling Song;Strain-tunable electronic structure, optical response, and high electron mobility of Bi2O2Se crystals; APL Mater. (2019) 7, 081110

10. Chun-Xiang Zhao , Yang Huang , Jia-Qi Wang ,Chun-Yao Niu*, Yu Jia; Prediction of a new direct-gap silicon phase: T36 silicon; Physics Letters A 383 (2019) 125903

11. Yi-Qi Yang, Chun-Xiang Zhao, Shou-Yan Bai, Cai-Ping Wang, Chun-Yao Niu*; Activating MoS2 basal planes for hydrogen evolution through the As doping and strain; Physics Letters A 383 (2019) 2997–3000

12. Wenzhuo Wu#, Chunyao Niu#, Cong Wei, Yu Jia*, Chong Li, and Qun Xu*；Activation of MoS2 Basal Planes for Hydrogen Evolution through Zinc; Angew. Chem. 2019 (131): 2051 -2055

13. Chun-Xiang Zhao, Yi-Qi Yang, Chun-Yao Niu*, Jia-Qi Wang, Yu Jia;C-57 carbon: a two-dimensional metallic carbon allotrope with pentagonal and heptagonal rings. Computational Materials Science 2019 (160): 115–119

14. Yang Huang, Changyou Yu, Weiguang Chen,Yuhuai Liu, Chong Li, Chunyao Niu, Fei Wang * and Yu Jia;Band gap and band alignment prediction of nitride-based semiconductors using machine learning,J. Mater. Chem. C 2019,7, 3238-3245

15. Xiao-Yan Ren#, Chun-Yao Niu#, Seho Yi, Shunfang Li, and Jun-Hyung Cho, Hydrogen adsorption induced nanomagnetism at the Si(111)-(7×7) surface. Phys. Rev. B 2018 (98):195424.

16. Shouyan Bai, Chun-Yao Niu*, Weiyang Yu, Zhili Zhu, Xiaolin Cai and Yu Jia*, Strain Tunable Bandgap and High Carrier Mobility in SiAs and SiAs2 Monolayers from First-Principles Studies. Nanoscale Research Letters 2018 (13): 404.

17. Yi-bo Li, Li-jin Zeng, Chun-xiang Zhao,Chun-Yao Niu*, irst-Principles Study of Magnetic Properties of TM13 and TM13@Au32Clusters (TM=Mn, Co); CHIN. PHYS. LETT 2018 (35) 103601.

18. Dahu Chang, Chun-Yao Niu*, Xiaowei Huang, Qiang Sun, Jun-Hyung Cho, and Yu Jia*, Abnormal volumetric thermal expansion in the hourglass fermion materials KHgAs and KHgSb; Phys. Rev. B, 2017(95):104101

19. Zhili Zhu, Xiaolin Cai, Seho Yi, Jinglei Chen, Yawei Dai, Chunyao Niu, Zhengxiao Guo, Maohai Xie, Feng Liu, Jun-Hyung Cho, Yu Jia,* and Zhenyu Zhang*. Multivalency-Driven Formation of Te-Based Monolayer Materials: A Combined First-Principles and Experimental study. Phys. Rev. Lett. 2017 (119): 106101.

20. Xiaolin Cai, Chun-Yao Niu*,Yuan-Yao He, Jianjun Wang, Zhili Zhu, Liwei Zhang and Yu Jia, Quantum Effect Enhanced Magnetism in the C-doped phosphorene Nanoribbons: First-principles Calculations. Physical Chemistry Chemical physics, 2017 (19):28354-28359.

21.Xiaolin Cai, Chun-Yao Niu*, JianjunWang, WeiyangYu, XiaoYan Ren, Zhili Zhu, Magnetic engineering in 3d transition metals on phosphorene by strain. Physics Letters A, 2017 (381):1236-1240.

22. Chun-Xiang Zhao, Chun-Yao Niu*, Zhi-Jie Qin, Xiao Yan Ren, Jian-Tao Wang, Jun-Hyung Cho & Yu Jia; H18 Carbon: A New Metallic Phasewith sp2-sp3 Hybridized Bonding Network. Scientific Reports 2016 (6): 21879.

23. Weiyang Yu, Zhili Zhu, Shengli Zhang, Xiaolin Cai, Xiangfu Wang,Chun-Yao Niu*, and Wei-Bing Zhang*,Tunable electronic properties of GeSe/phosphorene heterostructure from first-principles study. Appl. Phys. Lett. 2016 (109): 103104.

24.Xiao-Yan Ren, Chun-Yao Niu*,Wei-Guang Chen, Ming-Sheng Tang and Jun-Hyung Cho,Energetics and kinetics of Cu atoms and clusters on the Si(111)-7x7 surface: first-principles calculations. Phys.Chem.Chem.Phys. 2016 (18): 18549.

25.Jia-Qi Wang, Chun-Xiang Zhao, Chun-Yao Niu*, Qiang Sun and Yu Jia; C20-T carbon: a novel superhard sp³ carbon allotrope with large cavities. J. Phys.: Condens. Matter 2016 (28): 475402.

26. Chenhui Li, Seho Yi, Congxin Xia, Ping Cui,Chunyao Niu, Jun-Hyung Cho*, Yu Jia* and Zhenyu Zhang. Dimensionality and Valency Dependent Quantum Growth of Metallic Nanostructures: A Unified Perspective. Nano Lett., 2016 (16 ): 6628–6635.

27. Weiyang Yu*, Chun-Yao Niu, Zhili Zhu, Xiangfu Wang and Wei-Bing Zhang*,Atomically thin binary V–V compound semiconductor: a first-principles study. J. Mater. Chem. C, 2016(4): 6581.

28. Xiao-Yan Ren, Chun-Xiang Zhao, Chun-Yao Niu*, Jia-Qi Wang, Yu Jia, Jun-Hyung Cho, First-principles study of the crystal structures and physical properties of H18-BN and Rh6-BN. Physics Letters A 2016(380): 3891–3896.

29.Chun-Yao Niu, Xin-Quan Wang, Jian-Tao Wang*, New metallic carbon allotropy in sp3 Bonding networks. Journal of Chemical Physics 140, 054514 (2014)

30.Chun-Yao Niu, Jian-Tao Wang*, En-ge Wang, and Chang-feng Chen; Size-selective self-assembly of magnetic Mn nanoclusters on Si(111); Journal of Chemical Physics 138, 164705 (2013)

31.Chun-Yao Niuand Jian-Tao Wang*, Adsorption and dissociation of oxygen molecules on Si(111)-(7×7) surface. Journal of Chemical Physics 139, 194709 (2013)

培养研究生情况:

拟每年招收硕士生2-3名，欢迎大家报考。

邮箱：niuchunyao@zzu.edu.cn