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个人简介

1997年09月-2001年06月,中山大学 物理学 本科 2002年09月-2009年06月,清华大学 物理学 博士 2009年10月-2010年10月,德国马普学会Fritz-Haber研究所 博士后 2011年04月-2013年12月,清华大学深圳研究生院 讲师 2013年12月至今,清华大学深圳研究生院 副教授,博导 荣誉奖项 计算材料学青年奖(Early Career Award of Computational Materials Science Award,2019) 深圳市海外高层次B类人才(2013) 主要项目 国家自然科学基金面上项目(2019-2022):面向应用的高性能电催化拓扑材料的设计与模拟 国家重点研发计划项目(2017-2021):跨尺度高通量自动流程功能材料集成计算算法和软件,子课题负责人 广东省重点领域研究计划项目(2019-2021):高通量计算与数据融合的新材料设计平台,子课题负责人 广东省本土创新团队核心成员(团队带头人:康飞宇教授) 深圳市科创委基础研究布局(2017-2020):石墨烯等二维纳米材料的外场诱导相变改性及其电化学储能特性研究

研究领域

通过理论计算模拟材料的各种物理化学性质,可以深入理解材料从微观到宏观多个尺度的各类现象与特征,并对材料的物性和结构进行预言,从而为新材料的设计提供指导。本人长期从事材料模拟与计算领域的研究,目前的研究兴趣包括: 1.低维纳米材料和异质结构的生长机理 2.高效能量转化和存储器件设计及机制研究 3.高通量材料计算和数据挖掘

近期论文

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Effects of lithium intercalation in bilayer graphene Wu, Xi; Zheng, Fawei; Kang, Feiyu; Li, Jia Phys. Rev. B, 2023, 107, 165409 N-doped carbon nanotubes with high amount of graphitic nitrogen as an excellent electrocatalyst for water splitting in alkaline solution Lu, Xubin; Yang, Xin; Wang, Limin; Li, Fan; Zhang, Haojie; Li, Jia; Zan, Lingxing; Michael Bron J. Electroanal. Chem., 2023, 931, 117160 One-dimensional semimetal contacts to two-dimensional semiconductors Li, Xuanzhang; Wei, Yang; Wang, Zhijie; Kong, Ya; Su, Yipeng; Lu, Gaotian; Mei, Zhen; Su, Yi; Zhang, Guangqi; Xiao, Jianhua; Liang, Liang; Li, Jia; Li, Qunqing; Zhang, Jin; Fan, Shoushan; Zhang Yuegang Nat. Commun., 2023, 14, 111 Heterogeneous crystal-line-amorphous interface for boosted electrocatalytic nitrogen reduction to ammonia Wan, Yuchi; Wang, Zhijie; Zheng, Muyun; Li, Jia; Lv, Ruitao J. Mater. Chem. A, 2023, 11, 818-827 Ultrastable Fe-N-C fuel cell electrocatalysts by eliminating non-coordinating nitrogen and regulating coordination structures at high temperatures Xia, Dongsheng; Tang, Xuan; Dai, Sheng; Ge, Rile; Rykov, Alexander; Wang, Junhu; Huang, Tzu-Hsi; Wang, Kuan-Wen; Wei, Yinping; Zhang, Kai; Li, Jia; Gan, Lin; Kang, Feiyu Adv. Mater., 2023, 35, 2204474 Facile pathways to synthesize perovskite strontium cobalt oxides Lu, Sicheng; Yin, Fang; Wang, Yujia; Lu, Nianpeng; Gao, Lei; Peng, Huining; Lyu, Yingjie; Long, Youwen; Li, Jia; Yu, Pu Adv. Funct. Mater., 2023, 33, 2210377 Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks Muhammad N. Tahir; Zhu, Tong; Shang, Honghui; Li, Jia; Volke, Blum; Ren, Xinguo J. Chem. Theory Comput., 2022, 18, 5297-5311 Probing the oxygen reduction reaction intermediates and dynamic active site structures of molecular and pyrolyzed Fe-N-C electrocatalysts by in situ Raman spectroscopyn Wei, Jie; Xia, Dongsheng; Wei, Yinping; Zhu, Xuya; Li, Jia; Gan, Lin ACS Catal., 2022, 12, 7811-7820 Ultrafast self-heating synthesis of robust heterogeneous nanocarbides for high current density hydrogen evolution reaction Li, Chenyu; Wang, Zhijie; Liu, Mingda; Wang, Enze; Wang, Bolun; Xu, Longlong; Jiang, Kaili; Fan, Shoushan; Sun, Yinghui; Li, Jia; Liu, Kai Nat. Commun., 2022, 13, 3338 Stimulating the pre-catalyst redox reaction and the proton-electron transfer process of cobalt phthalocyanine for CO2 electroreduction Li, Hengyu; Wei, Jie; Zhu,Xuya; Gan, Lin; Cheng, Tao; Li, Jia J. Phys. Chem. C, 2022, 126, 9665-9672 Coexistence of extended flat band and Kekule? order in Li-intercalated graphene Bao, Changhua; Zhang, Hongyun; Wu,Xi; Zhou, Shaohua; Li, Qian; Yu, Pu; Li, Jia; Duan Wenhui; Zhou Shuyun Phys. Rev. B, 2022, 105, L161106 Femtomolar-level molecular sensing of monolayer tungsten diselenide induced by heteroatom doping with long-term stability Lv, Qian; Tan, Junyang; Wang, Zhijie; Yu, Lingxiao; Liu, Bilu; Lin, Junhao; Li, Jia; Huang, Zheng-Hong; Kang, Feiyu; Lv, Ruitao Adv. Funct. Mater., 2022, 32, 2200273 Mo2C-MoO2 heterostructure quantum dots for enhanced electrocatalytic nitrogen reduction to ammonia Wan Yuchi; Wang Zhijie; Li Jia; Lv Ruitao ACS Nano, 2022, 16, 643-654 Regulating the Li2S deposition by grain boundaries in metal nitrides for stable lithium-sulfur batteries Yang Jinlin; Cai Daqian; Lin Qiaowei; Wang Xinyu; Fang Zouqiang; Huang Ling; Wang Zhijie; Hao Xiaoge; Zhao Shixi; Li Jia; Cao Guozhong; Lv Wei Nano Energy, 2022, 91, 106669 RuO2 clusters derived from bulk SrRuO3: Robust catalyst for oxygen evolution reaction in acid Ji, Muwei; Yang, Xin; Chang, Shengding; Chen, Wenxing; Wang, Jin; He, Dongsheng; Hu, Yao ; Deng, Qian; Sun, You; Li, Bo; Xi, Jingyu; Yamada, Tomoaki; Zhang, Jiatao; Xiao, Hai; Zhu, Caizhen; Li, Jia; Li, Yadong Nano Res., 2022, 15, 1959-1965 Reversible function switching of Ag catalyst in Mg/S battery with chloride-containing electrolyte Xu, Yan; Zhao, Yuxing; Zhao, Shuyang; Zhang, Jifang; Li, Jia; Guo, Jinghua; Zhang, Yuegang Energy Storage Mater., 2021, 42, 513-516 Degradation and regeneration of Fe–Nx active sites for the oxygen reduction reaction: the role of surface oxidation, Fe demetallation and local carbon microporosity Xia, Dongsheng; Yu, Chenchen; Zhao, Yinghao; Wei, Yinping; Wu, Haiyan; Kang, Yongqiang; Li, Jia; Gan, Lin; Kang, Feiyu Chem. Sci., 2021, 12, 11576-11584 Phase engineering of atomically thin perovskite oxide for highly active oxygen evolution Li, Qun; Wu, Jiabin; Wu, Tao; Jin, Hongrun; Zhang, Nian; Li, Jia; Liang, Wenxi; Liu, Meilin; Huang, Liang; Zhou, Jun Adv. Funct. Mater., 2021, 31, 2102002 Fabricating polyoxometalates-stabilized single-atom site catalysts in confined space with enhanced activity for alkynes diboration Liu, Yiwei; Wu, Xi; Li, Zhi; Zhang, Jian; Liu, Shu-Xia; Liu, Shoujie; Gu, Lin; Zheng, Li Rong; Li, Jia; Wang, Dingsheng; Li, Yadong Nat. Commun., 2021, 12, 4205 Oxidation state modulation of bismuth for efficient electrocatalytic nitrogen reduction to ammonia Wan, Yuchi; Zhou, Hongjiang; Zheng, Muyun; Huang, Zhenghong; Kang, Feiyu; Li, Jia, Lv, Ruitao Adv. Funct. Mater., 2021, 31, 2100300 Two-dimensional intrinsic ferromagnetic monolayer transition metal oxyhydroxide Chen, Hongyu; Tang, Peizhe; Li, Jia Phys. Rev. B, 2021, 103, 195402 Manipulate the electronic state of mott iridate superlattice through protonation induced electron-filling Wang, Meng; Hao, Lin; Yin, Fang; Yang, Xin; Shen, Shengchun; Zou, Nianlong; Cao, Hui; Yang, Junyi; Lu, Nianpeng; Wu, Yongshun; Zhang, Jianbing; Zhou, Hua; Li, Jia; Liu, Jian; Yu, Pu Adv. Funct. Mater., 2021, 31, 2100261 Experimental evidence of chiral symmetry breaking in a Kekulé-ordered graphene Bao, Changhua; Zhang, Hongyun; Zhang, Teng; Wu, Xi; Luo, Laipeng; Zhou, Shaohua; Li, Qian; Hou, Yanhui; Yao, Wei; Liu, Liwei; Yu, Pu; Li, Jia; Duan, Wenhui; Yao, Hong; Wang, Yeliang; Zhou, Shuyun Phys. Rev. Lett., 2021, 126, 206804 Recent advances in screening two-dimensional materials for high-performance energy storage and conversion devices based on electronic structure theory Yang, Xin; Wu, Xi; Li, Jia Chin. Sci. Bull., 2021, 66, 640-656 Ultrasensitive molecular sensing of few-layer niobium diselenide Lv, Qian; Wu, Xi; Tan, Junyang; Liu, Bilu; Gan, Lin; Li, Jia; Huang, Zheng-Hong; Kang, Feiyu; Lv, Ruitao J. Mater. Chem. A, 2021, 9, 2725-2733 LixNa2-xW4O13 nanosheet for scalable electrochromic device Lu, Yucheng; Yang, Xin; Jin, Hongrun; Liu, Kaisi; Zhang, Guoqun; Huang, Liang; Li, Jia; Zhou, Jun Front. Optoelectron., 2021, 14, 298-310 Family of magic-sized carbon clusters on transition metal substrates Yan, Xue; Wu, Xi; Chen, Xiaobin; Du, Hongda; Gan, Lin; Kang, Feiyu; Ding, Feng; Li, Jia Adv. Funct. Mater., 2020, 30, 2006671 An organic nickel salt-based electrolyte additive boosts homogeneous catalysis for lithium-sulfur batteries Luo, Chong; Liang, Xing; Sun, Yafei; Lv, Wei; Sun, Yawen; Lu, Ziyang; Hua, Wuxing; Yang, Haotian; Wang, Ruochen; Yan, Chenglin; Li, Jia; Wan, Ying; Yang, Quang-Hong Energy Storage Mater., 2020, 33, 290-297 Atomic imaging of subsurface interstitial hydrogen and insights into surface reactivity of palladium hydrides Lin, Bingqing; Wu, Xi; Xie, Lin; Kang, Yongqiang; Du, Hongda; Kang, Feiyu; Li, Jia; Gan, Lin Angew. Chem. Int. Ed., 2020, 59, 20348-20352 Hollow “graphene” microtubes using polyacrylonitrile nanofiber template and potential applications of field emission Guo, Zeyu; Huang, He-Dong; Zhong, Lixiang; Lv, Ruitao; Huang, Zheng-Hong; Li, Jia; Perea-Lopez, Nestor; Yang, Pengyan; Terrones, Mauricio; Ruoff, S. Rodney; Kang, Feiyu Carbon, 2020, 167, 439-445 Layered MXene protected lithium metal anode as an efficient polysulfide blocker for lithium-sulfur batteries Li, Wantang; Zhang, Yifang; Li, Huan; Chen, Zijin; Shang, Tongxin; Wu, Zhitan; Zhang, Chen; Li, Jia; Lv Wei; Tao, Ying; Yang, Quang-hong Batteries & Supercaps, 2020, 3, 892-899 Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity Shang, Huishan; Zhou, Xiangyi; Dong, Juncai; Li, Ang; Zhao, Xu; Liu, Qinghua; Lin, Yue; Pei, Jiajing; Li, Zhi; Jiang, Zhuoli; Zhou, Danni; Zheng Lirong; Wang, Yu; Zhou, Jing; Yang, Zhengkun; Cao, Rui; Sarangi, Ritimukta; Sun, Tingting; Yang, Xin; Zheng, Xusheng; Yan, Wensheng; Zhuang, Zhongbin; Li, Jia; Chen, Wenxing; Wang, Dingsheng; Zhang, Jiatao; Li, Yadong Nat. Commun., 2020, 11, 3049 Flexible and free-standing hetero-electrocatalyst of high-valence-cation doped MoS2/MoO2/CNT foam with synergistically enhanced hydrogen evolution reaction catalytic activity Li, Chenyu; Zhao, Shuyang; Zhu, Kunlei; Wang, Bolun; Wang, Enze; Luo, Yufeng; He, Liqiong; Wang, Jiaping; Jiang, Kaili; Fan, Shoushan; Li, Jia; Liu, Kai J. Mater. Chem. A, 2020, 8, 14944-14954 Unveiling the axial hydroxyl ligand on Fe-N4-C electrocatalysts and its impact on the pH-dependent oxygen reduction activities and poisoning kinetics Yang, Xin; Xia, Dongsheng; Kang, Yongqiang; Du, Hongda; Kang, Feiyu; Gan, Lin; Li, Jia Adv. Sci., 2020, 7, 2000176 Mitigating metal dissolution and redeposition of Pt-Co catalysts in PEM fuel cells: impacts of structural ordering and particle size Cui, Yuefei; Wu, Yongle; Wang, Zhongxiang; Yao, Xiaozhang; Wei, Yinping; Kang, Yongqiang; Du, Hongda; Li, Jia; Gan, Lin J. Electrochem. Soc., 2020, 167, 064520 Few-layer Ti3C2Tx MXene delaminated via flash freezing for high-rate electrochemical capacitive energy storage Wang, Xianli; Dong, Liubing; Liu, Wenbao; Huang, Yongfeng; Pu, Xuechao; Wang, Jinjie; Kang, Feiyu; Li, Jia; Xu, Chengjun J. Energy Chem., 2020, 48, 233-240 Solubility-dependent protective effects of binary alloys for lithium anode Xu, Yan; Zhao, Shuyang; Zhou, Guangmin; Chen, Wei; Zhou, Fei; Rong, Ze; Wu, Yang; Li, Jia; Guo Jinghua; Zhang, Yuegang ACS Appl. Energy Mater., 2020, 3, 3, 2278-2284 Spontaneous self-intercalation of copper atoms into transition metal dichalcogenides Liu, Xiao-Chen; Zhao, Shuyang; Sun, Xueping; Deng, Liangzi; Zou, Xiaolong; Hu, Youcheng; Wang, Yun-Xiao; Chu, Ching-Wu; Li, Jia; Wu, Jingjie; Ke, Fu-Sheng; Ajayan, Pulickel M. Sci. Adv., 2020, 6, eaay4092 A dual-carbon-anchoring strategy to fabricate flexible LiMn2O4 cathode for advanced lithium-ion batteries with high areal capacity Yu, Xiaoliang; Deng, Jiaojiao; Yang, Xin; Li, Jia; Huang, Zhenghong; Li, Baohua; Kang, Feiyu Nano Energy, 2020, 67, 104256 Plasma-etched functionalized graphene as a metal-free electrocatalyst in solid acid fuel cells Lu, Xubin; Yang, Xin; Tariq, Muhammad; Li, Fan; Steimecke, Matthias; Li, Jia; Varga, Aron; Bron, Michael; Abel, Bernd J. Mater. Chem. A, 2020, 8, 2445-2452

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