马忠云

职称：副教授

性别：男

职务：专任教师

办公电话：

移动电话：隐藏

家庭电话：

家庭住址：谈球吧办公楼

                    A306、B519

电子邮箱：zhyma@xtu.edu.cn

工作学习经历

主讲课程

《结构化学》、《物理化学》、《高等物理化学》、《材料科学与工程基础》、《物理化学实验》，与教学团队获得谈球吧教学成果奖（2022年）、第十三届湖南省高等公司产品成果奖（2022年），湖南省优秀研究生导师团队（2023年）成员。

研究方向

新能源材料表面/界面理论模拟，金属纳米团簇的结构与性质预测，机器学习应用于催化剂和固态电解质设计

主要学术成果

一、科研项目

1. 国家自然科学基金青年科学基金项目(21503182)：锂空气电池中锰氧化物催化剂与过氧化锂的界面结构及其催化机理的理论模拟，2016/01-2018/12，主持；

2. 湖南省自然科学基金面上项目(2018JJ2387)：硫醇配体保护的金纳米团簇的结构异构化与消旋机制的理论研究，2018/01-2020/12，主持；

3. 中国博士后基金一等资助(2016M590747)：锂空气电池中alpha-MnO₂的通道结构催化机制的理论模拟，2016/06-2016/11，主持；

4. 湖南省教育厅一般项目：锂空气电池中正极催化剂表面锂氧反应动力学的Monte-Carlo模拟，2019.09-2021.12，主持；

5. 谈球吧人才引进科研启动项目：锂空气电池正极中催化剂的空间限域作用研究，2018/01~，主持

6. 老员工创新创业训练计划项目：2019-2021，2021-2023，2022-2024(国家级)，指导老师；

7. 谈球吧教学改革项目：化学图形化软件应用于结构化学课程教学中的探索与实践，2023.01-2024.12，主持。

二、学术论文

35. 张小艳, 陈子愉, 蒋想凤, 刘坤, 马忠云*, “混合可溶盐对黏度曲线线性关系的改进研究”, 大学化学 2025 (accepted).

34. Chongrui Dong, Yuanjing Chen, Yan Ding, Xiangjun Pu,* Yuliang Cao, Zhongyun Ma,* and Zhongxue Chen*, “Deciphering the Degradation Mechanisms and Realize High-Voltage Stability of A₃V₂(PO₄)₃ (A = Li⁺, Na⁺) in Aqueous Dual-Ion Batteries”, Small 2024, 2405171.

33. Hengzhi Liu, Ying Yang, Zhongyun Ma,* and Yong Pei*, “Chiral Inversion of Au₄₀(SR)₂₄ Nanocluster Driven by Rotation of Gold Tetrahedra in the Kekulé-like Core”, J. Phys. Chem. A 2024, 128, 5481−5489.

32. Feng Liu, Kailing Sun, Tongye Wei, Zhaohui Li*, Zhongyun Ma*, Yanhuai Ding*, Gangtie Lei, “Synergistic effect of interlayered doping and surface modification to improve the performance of Li-rich manganese-based cathode materials”, Journal of Alloys and Compounds 2024, 994, 174759.

31. Tengfei Duan, Dong Fan, Zhongyun Ma,* and Yong Pei*, “A doping strategy to regulate the adsorptionenergy of Li₂S₄ and Li₂S to promote sulfur reduction on Chevrel phase Mo₆Se₈ in lithium-sulfur batteries”. Nanoscale 2024, 16, 5352.

30. Lintong Gao, Bo Jing, Xianyou Wang, Qi Cao* and Zhongyun Ma*, Size effect of electrocatalyst enabled high-performance lithium-sulfur batteries. Materials Today Chemistry 2024, 42, 102437.

29. Lirong Xia, Jian Tang, Yufang Chen, Xing Zhou, Zhongyun Ma* and Yong Pei*, Exploring the effects of defect concentrations and distribution on Li diffusion in Li₃OBr solid-state electrolyte using a deep potential model. J. Mater. Chem. A 2024, 12, 6724-6732.

28. Zhou Zhang, Zhongyun Ma* and Yong Pei*, Li ion diffusion behavior of Li₃OCl solid-state electrolytes with different defect structures: insights from the deep potential model. Phys. Chem. Chem. Phys. 2023, 25, 13297.

27. Lubao Liang, Lintong Gao, Zhongyun Ma*, Qi Cao*, Bo Jing, Xianyou Wang, Yan Lu and Wenxi Wang*, Phosphorus-doped few-layer graphite wrapped metallic cobalt as interlayer for advanced lithium-sulfur batteries. Materials Today Energy 2023, 37, 101415.

26.Tengfei Duan, Li Wang, Zhongyun Ma*, and Yong Pei*, Theoretical Insights into Single-Atom Catalysts Supported on N-Doped Defective Graphene for Fast Reaction Redox Kinetics in Lithium-Sulfur Batteries. Small 2023, 2303760.

25. Peilan Luo, Menglin Ye, Wenli Zhou*, Pingping Wan, Zhongyun Ma*,Zhongxian Qiu, Jilin Zhang, Ru-Shi Liu*, Shixun Lian*, “Simultaneous construction of impermeable dual-shell stabilizing fluoride phosphors for white light-emitting diodes”, Chemical Engineering Journal 2022,435, 134951.

24. Xudong Li, Guokang Han, Shuaifeng Lou*, Zhuomin Qiang, Jiaming Zhu, Zhongyun Ma*, Pengjian Zuo, Chunyu Du* and Geping Yin*, Tailoring lithium-peroxide reaction kinetics with CuN₂C₂ single-atom moieties for lithium-oxygen batteries. Nano Energy 2022, 93, 106810.

23. Baoyu Huang, Jian Tang, Xiaomei Zhao, Zhongyun Ma*, Yong Pei*, “Theoretical Study of CO Oxidation over Au1/MgO(100) with Different Vacancies”, Molecular Catalysis 2022, 517, 112037.

22. Jing Li, Xiaomei Zhao, Zhongyun Ma,* and Yong Pei*, “Structure and Catalytic Activity of Gold Clusters Supported on

Nitrogen-Doped Graphene”, J. Phys. Chem. C 2021, 125, 5006−5019.

21. Tu’an Lv, Hao Min, Hongbo Shu^∗, Yujin Zhou, Qianqian Liang^∗, Xiaolong Li, Qiaochu Ren, Zhongyun Ma^∗, “Xianyou Wang, LiMnPO 4 nanoplates with optimal crystal orientation in situ anchored on the expanded graphite for high-rate and long-life lithium ion batteries”. Electrochimica Acta 2020, 359, 136945.

20. Yong Pei,* Pu Wang, Zhongyun Ma, and Lin Xiong, “Growth-Rule-Guided Structural Exploration of Thiolate-Protected Gold Nanoclusters”, Acc. Chem. Res. 2019, 52, 23−33.

19. Xiaomei Zhao, Pu Wang, Zhongyun Ma,* and Yong Pei*, “Phenyl Ring Transfer Mechanism of Styrene Selective Oxidation to Phenyl Acetaldehyde on Gold Catalysts from Density Functional Theory (DFT) Studies”, J. Phys. Chem. C 2019, 123, 1710−1719.

18. Zhongxian Qiu, Wenli Zhou*, Zhongyun Ma*, Jilin Zhang, Shixun Lian and Ru-Shi Liu*, An insight into the preferential substitution and structure repair in Eu²⁺-doped whitlockite-type phosphors based on the combined experimental and theoretical calculations, J. Mater. Chem. C 2019, 7, 8954-8961.

17. Liping Yu, Huifang Yan, Yanting Fan, Jinhui Zhang, Zhongyun Ma, Wenli Zhou,* Yan Chen,* Fengjuan Pan* and Shixun Lian, “Cation vacancy repair for the enhancement of orange-yellow luminescence in Sr9Mg1.5-xKx(PO4)7:Eu2+ phosphors”, J. Mater. Chem. C 2018, 6, 10723-10729.

16. Guang Zhou, Hongling Liu, Zhongyun Ma*, Hengfeng Li, Yong Pei, “Spatially confined Li-oxygen interaction in the tunnel of α-MnO₂ catalyst for Li-air battery: a first-principles study”, J. Phys. Chem. C 2017, 120, 16193-16200.

15. Zhongyun Ma, Pu Wang, Lin Xiong, and Yong Pei*, “Thiolate-protected gold nanoclusters: structural prediction and the understandings of electronic stability from first principles simulations”, WIREs Computational Molecular Science 2017, e1315. DOI: 10.1002/wcms.1315.

14. Lin Xiong, Baoliang Peng, Zhongyun Ma, Pu Wang and Yong Pei*, “A ten-electron (10e) thiolate-protected Au29(SR)19 cluster: structure prediction and a ‘gold-atom insertion, thiolate-group elimination’ mechanism”, Nanoscale 2017, 9, 2895-2902.

13. Shuang Chen, Lin Xiong, Shuxin Wang, Zhongyun Ma, Shan Jin, Hongting Sheng, Yong Pei*, and Manzhou Zhu*, “Total Structure Determination of Au₂₁(S-Adm)₁₅ and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters”, J. Am. Chem. Soc. 2016, 138 (34), 10754–10757.

12. Zhongyun Ma, P. Wang, and Y. Pei*, "Geometric structures, electronic structure and optical absorption properties of one-dimensional thiolate-protected gold clusters containing a quasi-face-centered-cubic (quasi-fcc) Au-core: a density-functional theoretical study", Nanoscale 2016, 8, 17044-17054.

11. Zhongyun Ma, P. Wang, G. Zhou, J. Tang, H. Li and Y. Pei*, "Correlating the structure and optical absorption properties of Au₇₆(SR)₄₄ cluster", The Journal of Physical Chemistry C 2016, 120,13739-13748.

10. D. Li*, Zhongyun Ma, Y. Li, J. Xu, K. Xie, "High temperature property of all-solid-state thin film lithium battery using LiPON electrolyte", Materials Letters 2014, 134, 237-239.

9. T. Zhang, Zhongyun Ma, L. Wang, J. Xi, and Z. Shuai*, "Interface electronic structures of reversible double-docking self-assembled monolayers on Au(111) surface", Phil. Trans. R. Soc. A 2014, 372, 20130028.

8. F. Rissner, ZhongYun Ma, O. T. Hofmann, C. Slugovc, Z. Shuai* and E. Zojer*, "Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules.", J. Mater. Chem. 2012, 22, 4269-4272. （并列一作）

7. Enrico Clementi*, Giorgina Corongiu (著); 帅志刚*, 马忠云, 张天, 尚远 (译), "从原子到大分子体系的计算机模拟-计算化学50年", 化学进展 2011, 23, 1795-1830.

6. ZhongYun Ma, F. Rissner, L. Wang, G. Heimel, Q., Z. Shuai and E. Zojer, "Electronic Structure of Pyridine-based Self-Assembled Monolayers on Flat Au(111) Surfaces: Extended Charge Rearrangement and Fermi Level Pinning", Physical Chemistry Chemical Physics, 2011, 13, 9747-9760.

5. LinJun Wang, G. M. Rangger, ZhongYun Ma, Q. Li, Z. Shuai*, and E. Zojer*, and G. Heimel, "Is There A Au-S Bond Dipole in Self-assembled Monolayers on Gold?", Physical Chemistry Chemical Physics 2010, 12, 4287-4290.

4. LinJun Wang, G. M. Rangger, L. Romaner, G. Heimel, T. Bucko, ZhongYun Ma, Q. Li, Zhigang Shuai*, and E. Zojer*, "Electronic Structure of Self-Assembled Monolayers on Au(111) Surfaces: The Impact of Backbone Polarizability", Adv. Funct. Mater. 2009, 19, 3766-3775.

3. Xiao-Yuan Liao, S.-G. Wang, Zhong-Yun Ma, J. Wang, Y.-W. Li, and H. Jiao*, "Density Functional Theory Study of H₂ Adsorption on the (100), (001) and (010) Surfaces of Fe₃C", Journal of Molecular Catalysis A: Chemical 2008, 292, 14-20.

2. Zhong-Yun Ma, C. Huo, X.-Y. Liao, Y.-W. Li, J. Wang, and H. Jiao*, "Density Functional Theory Study of CO and Hydrogen Co-adsorption on the Fe(111) Surface", The Journal of Physical Chemistry C 2007, 111, 4305-4314.

1. Xiao-Yuan Liao, D.-B. Cao, S.-G. Wang, Zhong-Yun Ma, Y.-W. Li, J. Wang, and H. Jiao*, "Density Functional Theory Study of CO Adsorption on the (100), (001) and (010) Surfaces of Fe₃C", Journal of Molecular Catalysis A: Chemical 2007, 269, 169-178.

三、指导员工获奖情况：

1. 指导三名本科生（陈子愉、蒋想凤和刘坤）参加第三届全国老员工化学实验创新设计大赛（“微瑞杯”华南赛区），获得二等奖，并将改进实验的方法应用于《物理化学实验》课程。

个人简介 

马忠云，男，1981年出生，湖南省长沙市人，中国共产党党员，谈球吧理论与计算化学课题组成员。主要从事新能源材料和金属纳米团簇的量子化学、分子动力学计算和机器学习研究。主持国家自然科学基金、中国博士后科学基金、湖南省自然科学基金、湖南省教育厅等项目；参与编著《支撑液膜：化学原理与应用》、《物理化学实验》。