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男， 安徽大学物质科学与信息技术研究院， 教授/研究员/教授级高工或同等级别

学习/工作经历

2002.09-2006.06 皖西学院，数理系，物理学，本科；
2006.09-2009.06 安徽大学，物理与材料科学学院，材料学，硕士；
2009.10-2013.10 德国罗斯托克大学，莱布尼茨催化所，化学，博士；
2014.03-2018.01 中国科学技术大学，化学与材料科学学院，博士后；
2018.02-2019.09 中国科学技术大学，微尺度物质科学国家研究中心，副研究员；
2019.09-至今 安徽大学，物质科学与信息技术研究院，教授。

研究领域和兴趣

计算催化

主要业绩

申请人长期致力于运用理论与计算化学手段在催化剂理性设计及机制、协助实验课题组解析实际催化机制领域开展研究，承担了国家重点研发项目、基金委区域联合重点项目、国家自然科学基金青年项目和面上项目、安徽省教育厅的高校协同创新项目等，已在国内外学术期刊上发表100余篇文，论文被引8200余次，H-index为35（Google 学术数据）。其中，以（共）一/通讯作者身份，在Nature、Nat. Catal.、Chem、Nat. Commun.（4篇）、Angew. Chem. Int. Ed.（2篇）等期刊上发表50余篇，相关研究成果被教育部评为2019年度“中国高等学校十大科技进展”。

代表成果

1) Zhiyuan Xia#, Xiangyu Zhu#, Xing Chen, Yanan Zhou*, Qiquan Luo*, Jinlong Yang*. Unveiling the Composition-Dependent Catalytic Mechanism of Pt–Ni Alloys for Oxygen Reduction: A First-Principles Study. The Journal of Physical Chemistry Letters, 15(38), 9566-9574, 2024. https://doi.org/10.1021/acs.jpclett.4c02164
2) Xiangyu Zhu#, Mingqi He#, Xing Chen, Yanan Zhou, Chang Xu, Xingxing Li, Qiquan Luo*, Jinlong Yang*. First-Principles Insights into Tungsten Semicarbide-Based Single-Atom Catalysts: Single-Atom Migration and Mechanisms in Oxygen Reduction. The Journal of Physical Chemistry Letters, 15(10), 2815-2824, 2024. https://doi.org/10.1021/acs.jpclett.4c00398
3) Xing Chen#, Xiangyu Zhu#, Zhiyuan Xia, Shiting Qian, Yanan Zhou*, Qiquan Luo*, Jinlong Yang*. 2D conductive metal–organic frameworks for NO electrochemical reduction: a first-principles study. Journal of Materials Chemistry A, 12(35), 23612-23621, 2024. https://doi.org/10.1039/D4TA04795H
4) Mingqi He, Yanan Zhou, Qiquan Luo*, Jinlong Yang*. Platinum monolayer dispersed on MXenes for electrocatalyzed hydrogen evolution: a first-principles study. Nanoscale, 16(33),15670-15676, 2024. https://doi.org/10.1039/D4NR01864H
5) Mingqi He, Xing Chen, Yanan Zhou, Chang Xu, Xingxing Li, Qiquan Luo*, Jinlong Yang*. A first-principles study of regulating spin states of MoSi2N4 supported single-atom catalysts via doping strategy for enhancing electrochemical nitrogen fixation activity. The Journal of Physical Chemistry Letters, 14(31), 7100-7107, 2023. https://doi.org/10.1021/acs.jpclett.3c01576
6) Sen Ru#, Mingqi He#, Yanan Zhou, Chang Xu, Qiquan Luo*, Jinlong Yang*. Theoretical and comparative analysis of graphdiyne and confined flexible nitrogen-doped graphdiyne-supported single-atom catalysts for electrochemical nitrogen reduction. The Journal of Physical Chemistry C, 126(43),18282-18291, 2022. https://doi.org/10.1021/acs.jpcc.2c04227
7) Huihui Zhang#, Chang Xu#, Xiaowen Zhan*, Yu Yu, Kaifu Zhang, Qiquan Luo*, Shan Gao*, Jinlong Yang, Yi Xie*. Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry. Nature Communications, 13(1),6029, 2022. https://doi.org/10.1038/s41467-022-33689-9
8) Wenhua Zhang#, Qiang Fu#, Qiquan Luo#, Li Sheng, Jinlong Yang*. Understanding single-atom catalysis in view of theory. JACS Au, 1(12), 2130-2145, 2021. https://doi.org/10.1021/jacsau.1c00384
9) Lina Cao#, Wei Liu#, Qiquan Luo#, Ruoting Yin, Bing Wang, Jonas Weissenrieder, Markus Soldemo, Huan Yan, Yue Lin, Zhihu Sun, Chao Ma, Wenhua Zhang, Si Chen, Hengwei Wang, Qiaoqiao Guan, Tao Yao, Shiqiang Wei*, Jinlong Yang*, Junling Lu*. Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H2. Nature, 565, 631-635, 2019. https://doi.org/10.1038/s41586-018-0869-5
10) Linlin Cao#, Qiquan Luo #, Wei Liu #, Yue Lin, Xiaokang Liu, Yuanjie Cao, Wei Zhang, Yuen Wu, Jinlong Yang, Tao Yao*, Shiqiang Wei*. Identification of single atomic active site in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution. Nature Catalysis 2, 134-141, 2019. https://doi.org/10.1038/s41929-018-0203-5

*以上信息由高级会员个人更新和维护。