李群祥 - 中国科学技术大学 - 合肥微尺度物质科学国家研究中心

个人简介

李群祥，中国科学技术大学化学物理系教授，博士生导师。1993年毕业于华中师大物理系，获理学学士学位，1999年毕业于中国科大基础物理中心凝聚态物理专业，获理学博士学位。1999-2001年中国科大选键化学重点实验室博士后，2001年8月起任职于中国科大化学物理系。现为化学物理系和合肥微尺度物质科学国家科学研究中心教授。曾赴香港理工大学电子资讯工程系、意大利国际理论物理中心、日本东京大学物理系、日本国立物质材料研究所计算材料科学中心和新加坡南洋理工大学材料科学系进行合作研究。研究方向为理论与计算化学，侧重单分子化学物理、分子电子学和计算材料科学，已在Science, Phys. Rev. Lett., J. Am. Chem. Soc., Angew. Chem. Int. Ed., Phys. Rev. B, J. Chem. Phys.和J. Mater. Chem. A等期刊上发表论文170余篇。教育经历 1989年9月-1996年7月，华中师大物理系，获理学学士和硕士学位 1996年9月-1999年7月，中国科大基础物理中心，凝聚态物理专业，获理学博士学位工作经历 1999年8月-2001年7月，中国科大选键化学重点实验室，博士后 2001年8月-2007年12月，中国科大化学物理系，副教授 2007年12月-至今，中国科大化学物理系和合肥微尺度物质科学国家研究中心，教授

研究领域

单分子化学物理分子电子学/分子自旋电子学计算材料科学

近期论文

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Mingchun Guo#, Qiangqiang Meng#, Mingliang Gao, Lirong Zheng, Qunxiang Li*, Long Jiao*, and Hailong Jiang*, Single-Atom Pt Loaded on MOF-Derived Porous TiO2 with Maximized Pt Atom Utilization for Selective Hydrogenation of Halonitro-benzene, Angew. Chem. Int. Ed. 63, e202418964, (2024) (https://doi.org/10.1002/anie.202418964). Mingchun Guo#, Xinyu Guan#, Qiangqiang Meng, Ming-Liang Gao, Qunxiang Li, and Hailong Jiang*, Tailoring Catalysis of Encapsulated Platinum Nanoparticles by Pore Wall Engineering of Covalent Organic Frameworks, Angew. Chem. Int. Ed. 63, e202410097 (2024)(https://doi.org/10.1002/anie.202410097). Cun Long, Long Cao, Liwei Ge, Qunxiang Li, YiJing Yan, Rui-Xue Xu, Yao Wang*, and Xiao Zheng*, Quantum neural network approach to Markovian dissipative dynamics of many-body open quantum systems, The Journal of Chemical Physics, 161, 084105 (2024) (https://doi.org/10.1063/5.0220357). Shanshan Liu, Xingxing Li*, and Qunxiang Li*, Two-Dimensional Chiral Covalent Organic Frameworks with Significant Rashba-Dresselhaus Spin Splitting, The Journal of Physical Chemistry Letters, 15, 8790 (2024) (https://doi.org/10.1021/acs.jpclett.4c01276). Jianing Wang#, Weiwei Chen#, Zhengya Wang, Jie Meng, Ruoting Yin, Miaogen Chen, Chuanxu Ma*, Qunxiang Li*, and Bing Wang*, Designer topological flat bands in one-dimensional armchair graphene antidot lattices，Physics Review B 110, 115138 (2024)(https://doi.org/10.1103/PhysRevB.110.115138). Wangzhong Tang#, Jie Meng#, Tao Ding#, Haisen Huang, Chuntian Tan, Qingao Zhong, Heng Cao*, Qunxiang Li*, Xiaoliang Xu*, and Jinlong Yang, Efficient Interfacial Charge Transfer Enables Nearly 100% Selectivity for Solar-Light-Driven CO2 Conversion, ACS Catalysis, 14, 7506 (2024) (https://doi.org/10.1021/acscatal.4c01020). Li Sheng, Weiyi Wang, Jiajun Wang*, Wenhua Zhang, Qunxiang Li*, Jinlong Yang, High-Throughput Computational Screening of Novel Two-Dimensional Covalent Organic Frameworks for Efficient Photocatalytic Overall Water Splitting, The Journal of Physical Chemistry Letters, 14, 5016 (2024) (https://doi.org/10.1021/acs.jpclett.4c00818). Wangzhong Tang#, Heng Cao#, Peiyu Ma#, Tao Ding, Sishi Huang, Jiajun Wang*, Qunxiang Li*, Xiaoliang Xu*, and Jinlong Yang, Construction of Electron Capture and Transfer Center for Highly Efficient and Selective Solar-Light-Driven CO2 Conversion, Nano Lett. 24, 5317 (2024) (https://doi.org/10.1021/acs.nanolett.4c010644). Li Sheng#, Xiaomin Fu#, Chao Jia, Xingxing Li*, and Qunxiang Li*, Large and Nonlinear Electric Field Response in a Two-Dimensional Ferroelectric Rashba Material, Journal of University of Science and Technology of China (JUSTC), 54, 0602 (2024)(http://doi.org/10.52396/JUSTC-2024-0004). Shanshan Liu, Ke Xu*, Xingxing Li*, Qunxiang Li, and Jinlong Yang, Obtaining Giant Rashba-Dresselhaus Spin Splitting in Two-Dimensional Chiral Metal-Organic Frameworks, Chemical Sciences, 15, 6916 (2024)(https://doi.org/10.1039/d3sc06636c). Linjie Chen, Zhenfa Zheng, Qijing Zheng*, Qunxiang Li*, and Jin Zhao*, Photoexcitation Induced Spin Dynamics in 1T-VSe2 Investigated by Ab Initio Nonadiabatic Molecular Dynamics, Science China Marterials, 67, 1253 (2024)(https://doi.org/10.1007/s40843-023-2838-5). Lei Wang, Xiaofeng Liu, Lingyun Wan, Yunzhi Gao, Xiaoning Wang, Jie Liu, Shijing Tan, Qing Guo, Wenhui Zhao, Wei Hu*, Qunxiang Li*, and Jinlong Yang, Excitonic Effects of the Excited-State Photocatalytic Reaction at the Molecule/Metal Oxide Interface, The Journal of Physical Chemistry Letters, 15, 2096 (2024) (https://doi.org/10.1021/acs.jpclett.3c03075). Runnan Guana#, Jing Huang#, Jinpeng Xin, Muqing Chen, Pingwu Du, Qunxiang Li*, Yuan-Zhi Tan*, Shangfeng Yang*, and Suyuan Xie, A stabilization rule for metal carbido cluster bearing u3-carbido single-atom-ligand encapsulated in carbon cage, Nature Communications, 15: 150 (2024) (https://doi.org/10.1038/s41467-023-44567-3). Yujie Hu, Shanshan Liu, Jing Huang, Xingxing Li*, and Qunxiang Li*, Gate Tunable Spin Seebeck Effect and Pure Spin Current Generation in Molecular Junctions Based on Bipolar Magnetic Molecules, Nano Lett., 23, 7890-7896 (2023) (http://doi.org/10.1021/acs.nanolett.3c01702). Zhengya Wang#, Ruoting Yin#, Jie Meng#, Jianing Wang, Yifan Liang, Chuanxu Ma*, Shijing Tan, Qunxiang Li*, Jinlong Yang, and Bing Wang*, Self-Limited Embedding Alternating 585-Ringed Divacancies and Metal Atoms into Graphene Nanoribbons, J. Am. Chem. Soc., 145, 8445-8454 (2023) (https://doi.org/10.1021/jacs.3c00111). Wenjun Zhang#, Shanshan Liu#, Yue Yang, Haifeng Qi, Shibo Xi, Yanping Wei, Jie Ding, Zhu-Jun Wang, Qunxiang Li*, Bin Liu*, and Zupeng Chen*, Exclusive Co-N4 Sites Confined in Two-dimensional Metal-Organic Layers Enabling Highly Selective CO2 Electroreduction at Industrial Level Current, Angew. Chem. Inter. Ed. e202219241 (2023) (https:// doi.org/10.1002/anie.202219241). Mingchun Guo, Qiangqiang Meng, Wenyao Chen, Zheng Meng, Ming-Liang Gao, Qunxiang Li, Xuezhi Duan, and Hai-Long Jiang*, Dual Microenvironment Modulation of Pd Nanoparticles in Covalent Organic Frameworks for Semihydrogenation of Alkynes, Angew. Chem. Inter. Ed. e202305212 (2023) (https://doi.org/10.1002/anie.202305212). Li Sheng, Jiajun Wang*, Wenhua Zhang, Qunxiang Li*, and Jinlong Yang, Data-Driven Discovery of a Covalent Organic Framework Heterojunction as Efficient Photocatalysts for Overall Solar Water Splitting，J. Phys. Chem. Lett., 14, 9207-9214 (2023) (https://doi.org/10.1021/acs.jpclett.3c02409). Xiaomin Fu, Chao Jia, Li Sheng, Qunxiang Li*, Jinlong Yang, and Xingxing Li*, Bipolar Rashba Semiconductors: A Class of Nonmagnetic Materials for Electrical Spin Manipulation, J. Phys. Chem. Lett. 14, 11292-11297 (2023) (https://doi.org/10.1021/acs.jpclett.3c02917). Chao Jia, Xingxing Li*, Qunxiang Li*, and Jinlong Yang, Hydrogen anion as a strong magnetic mediator for obtaining high-temperature ferromagnetic semiconductors: The case of hydride double perovskites, Physical Review B 107, L140404 (2023) (https://doi.org/10.1103/PhysRevB.107.L140404). Bo Fu#, Yanru Chen#, Weiwei Chen, Wei Zhu, Ping Cui, Qunxiang Li*, Zhenyu Zhang*, and Qinwei Shi, Disorder effects on the quasiparticle and transport properties of two-dimensional Dirac fermionic systems, Physical Review B 108, 064207 (2023) (https://doi.org/10.1103/PhysRevB.108.064207). Weiyi Wang, Qunxiang Li*, and Jinlong Yang*, High thermoelectric figure of merit in rhombic porous carbon nitride nanoribbons, Journal of the Chinese Chemical Society, 70:547-553 (2023)(https://doi.org/10.1002/jccs.202200359). Shengqian Ma#, Jiaxin Jiang#, Lanlan Zou, Jiaqi Lin, Ning Lu, Zhiwen Zhuo*, Xiaojun Wu, and Qunxiang Li*, Two-dimensional superhard silicon nitrides with widely tunable bandgap, high carrier mobilities and hole-doping-induced robust magnetism, Nanoscale, 15, 14912-14922 (2023) (https://doi.org/10.1039/D3NR01466E). Weiyi Wang, Jie Meng, Yujie Hu, Jiajun Wang*, Qunxiang Li*, and Jinlong Yang, Thgraphene: a novel two-dimensional carbon allotrope as potential multifunctional material for overall water splitting and potassium-ion batteries, Journal of Materials Chemistry A 10, 9848–9857 (2022)(https://doi.org/10.1039/D2TA00547F). Jie Meng, Jiajun Wang*, Jianing Wang, Qunxiang Li*, and Jinlong Yang, C7N6/Sc2CCl2 Weak van der Waals Heterostructure: A Promising Visible-Light-Driven Z-Scheme Water Splitting Photocatalyst with Interface Ultrafast Carrier Recombination, The Journal of Physical Chemistry Letters, 13, 1473-1479 (2022) (https://doi.org/10.1021/acs.jpclett.1c04194). Jie Meng, Jiajun Wang*, Jianing Wang, Qunxiang Li*, and Jinlong Yang, β-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting, Journal of Materials Chemistry A 10, 3443-53 (2022)(https://doi.org/10.1039/d1ta10074b). Xu Guo, Haimen Mu, Tianyi Hu, Qunxiang Li*, and Zhengfei Wang*, Bipolar Semiconductor in Two-Dimensional Covalent Organic Frameworks, Physical Review B 105, 155415 (2022)(https://doi.org/10.1103/PhysRevB.105.155415). Lili Xu, Jie Meng, Jiajun Wang*, Lu Wang, and Qunxiang Li*, Hybrid density functional study on band structure engineering of ZnS (110) Surface by anion-cation codoping for overall water splitting, New Journal of Chemistry 46, 8079 (2022)(https://doi.org/10.1039/D2NJ00905F). Jing Huang, Ying Zhu, Rong Xie, Yujie Hu, Shujuan Li, Shulai Lei*, and Qunxiang Li*, Tuning the spin caloritronic transport properties of InSe monolayer via transiton metal doping, New Journal of Chemistry 46, 15373 (2022) (htts://doi.org/10.1039/d2nj02635j). Ruoting Yin#, Jianing Wang#, Zhen lin Qiu, Jie Meng, Huimin Xu, Zhengya Wang, Yifan Liang, Xinjing Zhao, Chuanxu Ma*, Yuanzhi Tan*, Qunxiang Li and Bing Wang*, Step-Assisted On-Surface Synthesis of Graphene Nanoribbons Embedded with Periodic Divacancies, Journal of the American Chemical Society, 144, 14798−14808 (2022) (https://doi.org/10.1021/jacs.2c05570). Yujie Hu, Xingxing Li*, Qunxiang Li, and Jinlong Yang, Bipolar Magnetic Molecules for Spin-Polarized Electric Current in Molecular Junctions, Angewandte Chemie International Edition, 6, e202205036 (2022)(https://doi.org/10.1002/anie.202205036). Mianle Xu, Jie Wei, Wei Chen, Zhen Wei, Qunxiang Li, Jun Cai, and Yanxia Chen*, Effect of Hydrogen Pressure on the Intrinsic Kinetics of Hydrogen Evolution Reaction at Pt(111) Electrode, Journal of The Electrochemical Society, 169 036505 (2022)(https://doi.org/10.1149/1945-7111/ac5796). Ke Xu, Guolin Yi, Weiyi Wang, Jiajun Wang*, Cong Wang, and Qunxiang Li*, Theoretical insights into the diverse and tunable charge transport behavior of stilbene-based single-molecule junctions, Chemical Physics, 556, 111478 (2022) (https://doi.org/10.1016/j.chemphys.2022.111478). Bo Yang, Hongbo, Li, Zhurong Zhang, Ke Xiao, Mengting Yang, Fengzhen Zhang, Miaomian Wang, Xu Guo, Qunxiang Li, Weng Fu, Rui Si, Lianzhou Wang, and Huihuang Chen*, Nickel Dual-Atom Catalysts for the Selective Electrocatalytic Debromination of Tribromoacetic Acid as a Green Chemistry Process, Chemical Engineering Journal, 427, 131719 (2022) (https://doi.org/10.1016/j.cej.2021.131719). Runnan Guan#, Zuochang Chen#, Jing Huang#, Jinpeng Xin, Siwei Ying, Muqing Chen, Qianyan Zhang, Qunxiang Li, Suyuan Xie*, and Shangfeng Yang*, Self-driven carbon atom implantation into fullerene embedding metal-carbon cluster, Proceedings of the National Academy of Sciences (PNAS), 119, e2202563119 (2022) ( https://doi.org/10.1073/pnas.2202563119). Linwei Chen#, Xu Guo#, Qiangqiang Yan, Lele Zhang, Qunxiang Li*, and Haiwei Liang*, Structurally Ordered Intermetallic Ir3V Nanoparticle Electrocatalysts for Alkaline Hydrogen Evolution Reaction, Nano Energy, 81, 105636 (2021) (https://doi.org/10.1016/j.nanoen.2020.105636). Jiajun Wang*, Mengyao Shi, Guolin Yi, Jie Meng, and Qunxiang Li*, Computational identiﬁcation of B substitutional doped C9N4 monolayer for electrocatalytic N2 reduction, Molecular Cata. 511, 11726 (2021) (DOI: https://doi.org/10.1016/j.mcat.2021.111726). Yujie Hu, Jing Huang*, Jianing Wang, and Qunxiang Li*, Huge tunneling magnetoresistance in magnetic tunnel junction with Heusler alloy Co2MnSi electrodes, Chin. J. Chem. Phys. 34, 273 (2021)(https://doi.org/10.1063/1674-0068/cjcp2009170). Su You, Li Zhang, Yongqiang Yu, Wanqun Zhang, Huanran Li, Jie Meng, Qunxiang Li, and Qing Yang*, Nanoscale AgInTe2/Si Truncated Quasitetrahedrons for Heterostructured Photodetectors,ACS Appl. Nano Mater. 4, 5785-5795 (2021) (https://doi.org/ 10.1021/acsanm.1c00598). Hongrui Wang, Yongqiang Yu, Su You, Jie Meng, Mairman Muska, Qunxiang Li, and Qing Yang*, Low-Temperature Growth of High-Quality Ag2HgS2 Crystals for Setup of Weak-Light UV-Visible-NIR Photodetectors, Adv. Opt. Mater., 9, 2002080 (2021) (http://doi.org/10.1002/adom.202002080).