职 称： 副研究员
博导/硕导：硕导
所属 部门：材料成型及控制工程教研室
专 业： 材料科学与工程
研究 方向：储氢材料/新型金属功能材料设计与合成
联系 方式：183 8037 1534/ y_pan09@163.com
个人 主页： https://www.researchgate.net/profile/Yong_Pan5



个人简历
潘勇，男，工学博士，副研究员，硕士生导师，美国ACS化学学会会员，中国有色金属学会贵金属学术委员会会员。入选英国皇家化学学会2019年度Top 1% 高倍引中国作者。工作至今，围绕先进功能材料，存氢材料以及高温材料等领域主持及参与国家省部级项目10余项，在先进高温材料以及氢能存储材料的理论设计及力学机制等科学方面取得较大突破，同时在高温材料的强度与延展性平衡处理领域取得了一定的国际性地位，相关研究成果在《ACS Sustainable Chemistry and Engineering》、《Journal of Power Sources》、《Journal of Materials Chemistry A》、《Inorganic Chemistry》、《Journal of Physical Chemistry C》、《Materials Design》、《International Journal of Hydrogen Energy》、《Physical Chemistry Chemical Physics》、《Journal of Alloys and Compounds》和《Ceramics International》等国际期刊上发表SCI 论文逾130余篇，其中以第一作者(或通讯作者)被SCI检索的论文逾120篇，热点论文1篇，高倍引用论文10篇，研究论文目前被引用次数超过2500次，国际学术会议论文2篇，H指数30。同时担任国内外60余SCI期刊的审稿人。




主要研究领域

1. 氢存储材料的设计与合成；
2. 新型金属功能材料的设计与合成；
3. 高温合金材料；
4. 第一性原理计算。


代表性成果
1.代表性项目
(1). 贵金属对过渡族金属二硫化物析氢机制影响的研究，国家重点实验室开发项目，主持.
(2). Pt-Al-Cr涂层强化机理及其抗氧化性研究，国家重点实验室开放项目，主持.
(3). 铂族金属硼化物材料的合成、表征与应用研究，国家自然科学基金面上项目，排名第二.
(4). 铂铝系和铂锆系金属间化合物脆性断裂的微观机理研究，云南省自然科学基金项目，主持.
(5). 复合氧化物强化PtPh材料的显微结构和抗蠕变机制研究，云南省自然科学基金项目，排名第二.
(6). 钌硼化物超硬材料的设计、合成与性能研究，云南省自然科学基金重点项目，排名第二.
2. 代表性论文
(1) Pan Y*, Yu E, Wang D, Deng H. Sulfur vacancy enhances the electronic and optical properties of FeS2 as the high performance electrode material. J Alloy Compd. 2021;858:157662.
(2) Pan Y*. Structural Prediction and Overall Performances of CrSi2 Disilicides: DFT Investigations. ACS Sustainable Chem Eng. 2020;8:11024-11030.
(3) Pan Y*, Chen S, Jia Y. First-principles investigation of phonon dynamics and electrochemical performance of TiO2-x oxides lithium-ion batteries. International Journal of Hydrogen Energy. 2020;45:6207-6216.
(4) Pan Y*, Guan WM. The hydrogenation mechanism of PtAl and IrAl thermal barrier coatings from first-principles investigations. Int J Hydrogen Energ. 2020;45:20032-20041.
(5) Pan Y*, Pu DL, Li YQ, Zheng QH. Origin of the antioxidation mechanism of RuAl(1 1 0) surface from firstprinciples calculations. Mat Sci Eng B-solid. 2020;259:114580.
(6) Pu DL, Pan Y*. Influence of high pressure on the structure, hardness and brittle-to-ductile transition of NbSi2 ceramics. Ceram Int. 2021;47:2311-2318.
(7) Chen S, Pan Y*, Wang D, Deng H. Structural Stability and Electronic and Optical Properties of Bulk WS2 from First-Principles Investigations. J Electron Mater. 2020;49:7363-7369.
(8) Pan Y*, Pu D. First-principles investigation of oxidation behavior of Mo5SiB2. Ceramics International. 2020;46:6698-6702.
(9) Pan Y*, Pu D, Jia Y. Adjusting the correlation between the oxidation resistance and mechanical properties of Pt-based thermal barrier coating. Vacuum. 2020;172:109067.
(10) Pan Y*. Theoretical discovery of high capacity hydrogen storage metal tetrahydrides. International Journal of Hydrogen Energy. 2019;44:18153-18158.
(11) Pan Y*. First-principles investigation of the new phases and electrochemical properties of MoSi2 as the electrode materials of lithium ion battery. Journal of Alloys and Compounds. 2019;779:813-820.
(12) Pan Y*. Vacancy-enhanced cycle life and electrochemical performance of lithiumrich layered oxide Li2RuO3. Ceramics International. 2019;45:18315-18319.
(13) Pan Y*, Li YQ, Zheng QH, Xu Y. Point defect of titanium sesquioxide Ti2O3 as the application of next generation Li-ion batteries. J Alloy Compd. 2019;786:621-626.
(14) Pan Y*, Guan WM. Exploring the novel structure, elastic and thermodynamic properties of W3Si silicides from first-principles calculations.Ceramics International. 2019;45:15649-15653.
(15) Pan Y*, Li Y, Zheng Q. Influence of Ir concentration on the structure, elastic modulus and elastic anisotropy of Nb-Ir based compounds from first-principles calculations. Journal of Alloys and Compounds. 2019;789:860-866.
(16) Wang S, Pan Y*. Insight into the structures, melting points, and mechanical properties of NbSi2 from first-principles calculations. Journal of American Ceramic Society. 2019;102:4822-4834.
(17) Pan Y*. Influence of Oxygen Vacancies on the Electronic and Optical Properties of Zirconium Dioxide from First-Principles Calculations. Journal of Electronic Materials. 2019;48:5154-5160.
(18) Pan Y*, Pu D. The structural, mechanical, and thermodynamic properties of B2-type TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds from first-principles calculations. Internatiional Journal of Quantum Chemistry. 2019;119:e26015.
(19) Yong Pan*, Weiming Guan, Prediction of New Phase and Electrochemical Properties of Li2S2 as the Application of Li-S Batteries, Inorganic Chemistry, 2018:57: 6617-6623.
(20) Yong Pan*, Weiming Guan, Yanqiong Li, Insight into the new phase, electronic and mechanical properties of TMCrSi ternary silicides from first-principles calculations, Physical Chemistry Chemical Physics, 2018:20: 15863-15870.
(21) Yong Pan*, Role of S-S interlayer spacing on the hydrogen storage mechanism of MoS2, International Journal of Hydrogen Energy, 2018:43:3087-3091.
(22) Yong Pan*, Ming Wen, Insight into the oxidation mechanism of Nb3Si(111) surface: first-principles calculations, Materials Research Bulletin, 2018:107:484-491.
(23) Pan Y*, Wen M. Noble metals enhanced catalytic activity of anatase TiO2 for hydrogen evolution reaction. International Journal of Hydrogen Energy. 2018;43:22055-22063.
(24) Yong Pan*, Ping Wang, Chunmei Zhang, Structure, mechanical, electronic and thermodynamic properties of Mo5Si3 from first-principles calculations, Ceramics International, 2018:44: 12357-12362.
(25) Yong Pan*, Ming Wen, Ab-initio calculations of mechanical and thermodynamic properties of TM (transition metal: 3d and 4d)-doped Pt3Al, Vacuum, 2018:156:419-426.
(26) Yong Pan*, Shuanglun Wang, Xi Zhang, Linhu Jia, First-principles investigation of new structure, mechanical and electronic properties of Mo-based silicides, Ceramics International, 2018, 44:1744-1750.
(27) Shuanglun Wang, Yong Pan*, Yuanhua Lin, Chuangchuang Tong, Influence of doping concentration on mechanical properties of Mo2FeB2 alloyed with Cr and Ni from first-principle calculations, Computational Materials Science, 2018:146:18-25.
(28) Shuanglun Wang, Yong Pan*, Yuanhua Lin, First-principles study of the effect of Cr and Al on the oxidation resistance of WSi2, Chemical Physics Letters, 2018:698:211-217.
(29) Yong Pan*, Weiming Guan, Probling the balance between ductility and strength: Transition metal silicides, Physical Chemistry Chemical Physics, 2017,19:19427-19433.
(30) Yong Pan*, Jing Zhu, Jun Luo, Role of Ru concentration on structure, mechanical and thermodyamic properties of Ru-Al compounds, Materials Design, 2017, 118:146-151.
(31) Yong Pan*, Pengyu Mao, Huan Jian, Yuanyuan Wan, Insight into the effect of Mo and Re on mechanical and thermodynamic properties of NbSi2 based silicide, Ceramics International, 2017, 43:5274-5282.
(32) Yong Pan*, Bingcheng Zhou, ZrB2: Adjusting the phases structure to improve the brittle fracture and electronic properties, Ceramics International, 2017, 43:8763-8768.
(33) Yong Pan*, RuAl2: Structure, electronic properties and elastic properties from first-principles, Materials Research Bulletin, 2017, 93:56-62.
(34) Yong Pan*, Weiming Guan, Pengyu Mao, Insulator-to-metal transition of Lithium-sulfur battery, RSC Advances, 2017, 7: 44326-44332.
(35) Yuanhua Lin, Chuangchuang Tong, Yong Pan*, Wanying Liu, Elastic properties and electronic structure of Mo2FeB2 alloyed with Cr, Ni and Mn by first-principles calculations, Modern Physics Letters B, 2017, 31:175138.
(36) Yong Pan*, Weiming Guan, Prediction of new stable structure, promising electronic and thermodynamic properties of MoS3: ab-initio calculations, Journal of Power Sources, 2016, 325:246-251.
(37) Yong Pan*, Yuanhua Lin* and Chuangchuang Tong, New insight into the effect of alloying elements on elastic behavior, hardness and thermodynamic properties of Ru2B3, Journal of Physical Chemistry C, 2016, 120:21762-21769.
(38) Yong Pan*, Weiming Guan, Effect of sulfur concentration on structural, elastic and electronic properties of molybdenum sulfides from first-principles, International Journal of Hydrogen Energy, 2016, 41:11033-11041.
(39) Yong Pan*, Jin Zhang, Chao Jin, Xiaoyang Chen, Influence of vacancy on structural and elastic properties of NbSi2 from first-principles calculations, Materials Design, 2016, 108:13-18.
(40) Yong Pan*, Yuanhua Lin*, Qi Xue, Relationship between Si concentration and mechanical properties of Nb-Si compounds: A first-principles study, Materials Design, 2016, 89:676-683.
(41) Yong Pan*, Yuanhua Lin, Interfacial stability, electronic structure and bond characteristics of Pt3Zr(111)/Pt(111) interfaces: A first-principles study, Computational Materials Science, 2016, 111:74-78.
(42) Yong Pan*, Yuanhua Lin, Influence of B concentration on the structural stability and mechanical properties of Nb-B compounds, Journal of Physical Chemistry C, 2015, 119:23175-23183.
(43) Yong Pan*, Yuanhua Lin, Hui Wang, Vacancy induced brittle-to-ductile transition of Nb5Si3 alloy from first-principles, Materials and Design, 2015, 86:259-265.
(44) Yong Pan*, Ming Wen, Xia Wang, Iridium concentration driving the mechanical properties of Iridium-aluminum compounds, Journal of Alloys and Compounds, 2015, 648:771-777.
(45) Yong Pan*, Weiming Guan, Hydrogen embrittlement of Pt3Zr compound from first-principles, Journal of Alloys and Compounds, 2014, 585:549-554.
(46) Yong Pan, Weiming Guan, Weitao Zheng, Structural, mechanical properties and fracture mechanism of RuB1.1, Dalton Transactions, 2014, 43:518-5174.