新能源,储能

高性能储能材料与器件
固态电池材料的结构设计
材料计算与设计
机器学习与人工智能在新能源材料领域的应用

[1]Yurong Liu,Zeyu Zhang,Xinyi Yan,Jinquan Hou,Zhiwei Liu,Wenjie Liu,Xianyou Wang, Yong Pei,Zhenhua Yang*,Highly efficient atomic-scale design of CaF2 for ultrafast fluoride-ion conduction,Journal of Materials Chemistry A,2025,13,24656
[2]Jiyu Ning,Weijia Meng,Chuang Wang,Huangkai Wang,Chao Wu,Lidong You,Xianyou Wang, Yong Pei,Haibo Wang,Zhenhua Yang*,Structure design of a BiOF solid electrolyte with remarkably outstanding fluoride ion diffusion performance induced by Ga doping,Journal of Materials Chemistry A, 2024, 12,15592
[3]Lidong You，Huangkai Wang, Chuang Wang,Weijia Meng,Chao Wu,Biao Wei, Xianyou Wang, Yong Pei, Haibo Wang, Zhenhua Yang*,Atomically engineered Al-doped LaOCl for chlorine-ion batteries, Ceramics International,2024,50,25312-25321.
[4]Zichun Zhang , Ge Zhang , Huangkai Wang , Chuang Wang, Qianmei Li , Xianyou Wang , Yong Pei,Haibo Wang,Zhenhua Yang*,Atomistic insights into the enhanced Na storage performance of CuP2 anchored on single vacancy graphene, Chemical Engineering Journal ,2023, 475,146180.
[5]Lingling Xiong,Piaopiao Wen,Yixi Zhang,Xuanya Liu,Jiyu Ning,Xianyou Wang, Haibo Wang,Zhenhua Yang*,Exploring efficient solid electrolyte based on Nd doped BaSnF4 for fluoride-ion batteries at atomic scale, Journal of Power Sources,2022, 518 ,230718.
[6]Piaopiao Wen,Huangkai Wang,Xianyou Wang,Haibo Wang,Yansong Bai,Zhenhua Yang*,Exploring the physicochemical role of Pd dopant in promoting Li-ion diffusion dynamics and storage performance for NbS2 at atomic scale,Physical Chemistry Chemical Physics, 2022,24, 14877-14885.
[7]Jing Yang,Jinda Luo, Yi Kuang, Yichu He,Piaopiao Wen, Lingling Xiong, Xianyou Wang,Zhenhua Yang*, Exploring efficient Na/K storage mechanism and vacancy defect-boosted Li+ diffusion based on VSe2/MoSe2 heterostructure engineering,ACS Applied Materials & Interfaces ,2021 ,13,2072-2080.
[8]Min Liu, Qun Wang, Biaobing Chen, Huiling Lei, Lei Liu, Chun Wu, Xianyou Wang*, Zhenhua Yang*,Band-gap engineering of FeF3·0.33H2O nanosphere via Ni doping as a high-performance lithium ion battery cathode,ACS Sustainable Chemistry & Engineering,2020,8,41,15651-15660.
[9]Qun Wang,Zhenhua Yang*, Hanghui Liu, Xianyou Wang, and Xingqiang Shi,Atomically tailoring vacancy defects in FeF2.2(OH)0.8 toward ultra-high rate and long-life Li/Na-ion batteries,Journal of Materials Chemistry A, 2019,7,14180-14191.
[10]Shu Zhao,Yang Li,Zhenhua Yang*, Xianyou Wang, Xingqiang Shi*,Atomic-scale dynamics and storage performance of Na/K on FeF3 nanosheet, ACS Applied Materials & Interfaces2019,11(19),17425-17434.
[11]Hanghui Liu, Zhenhua Yang*,Qun Wang, Xianyou Wang, and Xingqiang Shi,Atomistic insight into screening and role of oxygen in enhancing Li+ conductivity of Li7P3S11-xOx solid-State electrolytes,Physical Chemistry Chemical Physics,2019,21, 26358-26367.
[12]Zhenhua Yang*, Shu Zhao, Yanjun Pan, Xianyou Wang, Hanghui Liu, Qun Wang, Zhijuan Zhang, Bei Deng, Chunsheng Guo, Xingqiang Shi*,Atomistic insights into FeF3 nanosheet: An ultrahigh-rate and long-life cathode material for Li-ion batteries,ACS Applied Materials & Interfaces,2018, 10, 3142-3151.
[13]Yanjun Pan,Yang Li, Jinda Luo, Shu Zhao, Xianyou Wang, Zhenhua Yang*,Atomic insights into regulation of graphene sheets vertically attached to the FeF3·0.33H2O (002) surface by cation doping,Current Applied Physics,2019, 19(10),1103-1110.
[14]Zhijuan Zhang, Zhenhua Yang*, Yang Li, Xianyou Wang,Revealing the doping mechanism and effect of cobalt on the HTB-type iron fluoride: A first-principle study,Journal of Physics and Chemistry of Solids,2018,123,87-96.

1.掺杂FeF3·0.33H2O的结构设计及其电化学反应机理的第一性原理研究(21573187)，国家自然科学基金面上项目，2016-2019年。
2.阳离子掺杂FeP纳米片的设计及其储锂机理研究（2024JJ7541），湖南省自然科学基金区域联合基金，2024-2026年
3.思政引领、专业精深、能力卓越：新能源材料方向研究生“红专能”培养模式探索（2025JGYB197）,湖南省学位与研究生教育改革研究项目，2025-2027年。
4.基于第一性原理计算的固态电解质Li7P3S11的掺杂结构设计及其表界面调控研究(2020JJ4573)，湖南省自然科学基金面上项目，2020-2022年。
5.CuP2掺杂结构的设计及其储Na机理的第一性原理研究（20A502），湖南省教育厅重点项目，2020-2022年。
6.协同创新视野下材料科学与工程研究生培养新模式的探索与实践，湖南省学位与研究生教育改革研究项目,2019-2021年。
7.掺杂FeF3的微观尺度设计及其电化学反应机理的理论计算研究(15B228),湖南省教育厅优秀青年项目，2015-2018年。
8.FeF3.0.33H2O的结构与性能调控的第一性原理计算研究(2016M592435)，中国博士后基金面上项目，2016-2017年。
9.具有开放骨架结构氟化铁的掺杂设计及其与锂相互作用机理的计算研究，湖南省自然科学基金面上项目，2017-2019年。
10.基于翻转课堂的新能源材料与器件专业实验教学模式研究，湖南省普通高校教学改革研究项目，2015-2018年。
11.材料类专业研究生拔尖人才培养“术”和“道”的构筑与融合（2022JGSZ038）,湖南省学位与研究生教育改革研究项目,2023-2024年。
12.“双一流”背景下新能源材料与器件本科专业拔尖人才培养体系的设计与构建，湖南省普通高等学校教学改革研究项目，2020-2022年。
13.新能源材料与器件专业本科生培养新模式的探索与实践，湘潭大学第十一批教学改革研究项目，2020-2022年。