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个人简介

Research History 2023 - Present(Associate Investigator (Concurrent)), ARC Centre of Excellence for Green Electrochemical Transformation of Carbon Dioxide, The University of Queensland Apr, 2022 - PresentJr. Principal Investigator, Associate Professor, Advanced Institute for Materials Research, Tohoku University Jan, 2020 - Mar, 2022Postdoctoral Researcher, Catalysis Theory Center, Department of Physics, Technical University of Denmark Sep, 2015 - Dec, 2019Ph.D. Researcher, Department of Chemistry; The Oden Institute for Computational and Engineering Sciences, The University of Texas at Austin  Education Sep, 2015 - Dec, 2019Department of Chemistry and The Oden Institute for Computational and Engineering Sciences, The University of Texas at Austin Sep, 2017 - Dec, 2017Institute for Pure & Applied Mathematics (IPAM), University of California, Los Angeles Sep, 2011 - Jun, 2015School of Chemistry, Sichuan University

研究领域

Catalysis and materials theory Data science for materials design Computational methodology development based upon artificial intelligence "e-Refinery” for sustainable production

近期论文

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Rational Design of Cost-Effective Metal-Doped ZrO2 for Oxygen Evolution Reaction Yuefeng Zhang, Tianyi Wang, Liang Mei, Ruijie Yang, Weiwei Guo, Hao Li, Zhiyuan Zeng Nano-Micro Letters, Dec, 2024 Unraveling the Potential of Solid-State Hydrogen Storage Materials: Insights from First Principle Calculations Yaohui Xu, Yang Zhou, Chaoqun Li, Shuai Dong, Hao Liu, Weijie Yang, Yuting Li, Han Jiang, Zhao Ding, Hao Li …Fuel, Oct, 2024 Hydrogen-bond dominated phosphorus uptake by chitosan-calcium alginate coated melamine foam in ecological floating beds Yan Zhang, Zhongyuan Guo, Peiwen Liu, Zhen Qiu, Huajun Feng, Yongfu Li, Yanjiang Cai, Hai Xiang, Hao Li, Bing Yu Chemical Engineering Journal, Aug, 2024 Effective redox reaction in a three-body smart photocatalyst through multi-interface modulation of organic semiconductor junctioned with metal and inorganic semiconductor Farzin Nekouei, Tianyi Wang, Farzaneh Keshtpour, Yun Liu, Hao Li, Shahram Nekouei Applied Catalysis B: Environment and Energy, Aug, 2024 Unlocking the secrets of ideal fast ion conductors for all-solid-state batteries Kartik Sau, Shigeyuki Takagi, Tamio Ikeshoji, Kazuaki Kisu, Ryuhei Sato, Egon Campos dos Santos, Hao Li, RANA MOHTADI, Shin-ichi ORIMO Communications Materials, Jul 19, 2024 Curvature-Dependent Electrochemical Hydrogen Peroxide Synthesis Performance of Oxidized Carbon Nanotubes Fangxin She, Zhongyuan Guo, Fangzhou Liu, Zixun Yu, Jiaxiang Chen, Yameng Fan, Yaojie Lei, Yuan Chen, Hao Li, Li Wei ACS Catalysis, Jul 5, 2024 Europium Oxide Evoked Multisite Synergism to Facilitate Water Dissociation for Alkaline Hydrogen Evolution Yu Zhu, Xiangrui Wu, Zixin Wu, Xu Wang, Xuan Wang, Caikang Wang, Xiaoheng Zhu, Meng Li, Dongmei Sun, Hao Li …Advanced Functional Materials, Jul 2, 2024 Effects of Surfactants on the Size Distribution and Electrocatalytic Nitrite Reduction of Uniformly Dispersed Au Nanoparticles Wei Zhang, Tianyi Wang, Xiujing Xing, Huhu Yin, Jin Li, Wei Xiong, Hao Li ACS Sustainable Chemistry & Engineering, Jun 28, 2024 Oxophilic Tm‐Sites in MoS2 Trigger Thermodynamic Spontaneous Water Dissociation for Enhanced Hydrogen Evolution Meng Li, Xuan Wang, Han Du, Wenrou Dong, Songbo Ye, Heng Liu, Huamei Sun, Kai Huang, Hao Li, Yawen Tang …Advanced Energy Materials, Jun 11, 2024 Lattice Strain Engineering on Metal‐Organic Frameworks by Ligand Doping to Boost the Electrocatalytic Biomass Valorization Wenjing Bai, Xuan Wang, Jianing Xu, Yongzhuang Liu, Yuhan Lou, Xinyue Sun, Ao Zhou, Hao Li, Gengtao Fu, Shuo Dou …Advanced Science, Jun 3, 2024 Mapping Degradation of Iron–Nitrogen–Carbon Heterogeneous Molecular Catalysts with Electron-Donating/Withdrawing Substituents Fangzhou Liu, Di Zhang, Fangxin She, Zixun Yu, Leo Lai, Hao Li, Li Wei, Yuan Chen ACS Catalysis, May 31, 2024 Origin of the Activity of Electrochemical Ozone Production over Rutile PbO2 Surfaces Jin-Tao Jiang, Zhongyuan Guo, Shao-Kang Deng, Xue Jia, Heng Liu, Jiang Xu, Hao Li, Li-Hua Cheng ChemSusChem, May 24, 2024 Picturing the Gap Between the Performance and US‐DOE’s Hydrogen Storage Target: A Data‐Driven Model for MgH2 Dehydrogenation Chaoqun Li, Weijie Yang, Hao Liu, Xinyuan Liu, Xiujing Xing, Zhenyang Gao, Shuai Dong, Hao Li Angewandte Chemie International Edition, Apr 25, 2024 Oxidation State Regulation of Iron-based Bimetallic Nanoparticles for Efficient and Simultaneous Electrochemical Detection of Pb2+ and Cu2+ Shiya Wu, Xiujing Xing, Wei Xiong, Zhongyuan Guo, Hao Li Sensors and Actuators B: Chemical, Apr, 2024 Data Mining of Stable, Low-Cost Metal Oxides as Potential Electrocatalysts Xue Jia, Hao Li Artificial Intelligence Chemistry, Apr, 2024 Reversible Hydrogen Electrode (RHE) Scale Dependent Surface Pourbaix Diagram at Different pH Heng Liu, Di Zhang, Yuan Wang, Hao Li Langmuir, Mar 29, 2024 Dealing with the big data challenges in AI for thermoelectric materials Xue Jia, Alex Aziz, Yusuke Hashimoto, Hao Li Science China Materials, Mar 8, 2024 Unraveling the coordination behavior and transformation mechanism of Cr3+ in Fe–Cr redox flow battery electrolytes Xiaojun Zhao, Xinwei Niu, Xinyuan Liu, Chongchong Wu, Xinyu Duan, George Ma, Yan Xu, Hao Li, Weijie Yang Materials Reports: Energy, Mar, 2024 Recent Progress of Electrochemical Nitrate Reduction to Ammonia on Copper‐Based Catalysts: From Nanoparticles to Single Atoms Zixun Yu, Mingyao Gu, Yangyang Wang, Hao Li, Yuan Chen, Li Wei Advanced Energy and Sustainability Research, Feb 16, 2024 Synthesis of Lead Dioxide and Evaluation of Its Electrocatalytic Performance in Ammonia Synthesis Wei Xiong, Huhu Yin, Xiujing Xing, Hao Li Journal of Chemical Education, Feb 16, 2024 Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Jacob P Troutman, Sai Pavan Jagannath Mantha, Hao Li, Graeme Henkelman, Simon Humphrey, Charles Werth Small (Weinheim an der Bergstrasse, Germany), Feb 7, 2024 Facile synthesis of Ni-based oxides nanocatalyst: effect of calcination temperature on NRR properties of NiO Xiaoyan Huang, Xiujing Xing, Wei Xiong, Hao Li Carbon Letters, Feb 2, 2024 Deciphering Structure−Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm Zhongyuan Guo, Yihong Yu, Congcong Li, Egon Campos dos Santos, Tianyi Wang, Huihui Li, Jiang Xu, Chuangwei Liu, Hao Li Angewandte Chemie, Jan 29, 2024 Steering CO2 Electroreduction to C2+ Products via Enhancing Localized *Co Coverage And Local Pressure in Conical Cavity Chunzhong Li, Tingting Zhang, Heng Liu, Zhongyuan Guo, Zhongliang Liu, Haojun Shi, Jialin Cui, Hao Li, Huihui Li, Chunzhong Li Advanced Materials, Jan 25, 2024 Precise coordination of high-loading Fe single atoms with sulfur boosts selective generation of nonradicals Xunheng Jiang, Binghui Zhou, Weijie Yang, Jiayi Chen, Chen Miao, Zhongyuan Guo, Hao Li, Yang Hou, Xinhua Xu, Lizhong Zhu …Proceedings of the National Academy of Sciences, Jan 23, 2024 Unraveling the pH-Dependent Oxygen Reduction Performance on Single-Atom Catalysts: From Single- to Dual-Sabatier Optima Di Zhang, Zhuyu Wang, Fangzhou Liu, Peiyun Yi, Linfa Peng, Yuan Chen, Li Wei, Hao Li Journal of the American Chemical Society, Jan 12, 2024 Active machine learning model for the dynamic simulation and growth mechanisms of carbon on metal surface Di Zhang, Peiyun Yi, Xinmin Lai, Linfa Peng, Hao Li Nature Communications, Jan 6, 2024 Revisiting the Thermal Decomposition Mechanism of MAPbI3 Weijie Yang, Ruiyang Shi, Huan Lu, Kailong Liu, Qingqi Yan, Yang Bai, Xun-Lei Ding, Hao Li, Zhengyang Gao Physical Chemistry Chemical Physics, 2024 The Potential of Zero Charge and Solvation Effects on Single-Atom M–N–C Catalysts for Oxygen Electrocatalysis Di Zhang, Hao Li Journal of Materials Chemistry A, 2024 Machine Learning Enabled Exploration of Multicomponent Metal Oxides for Catalyzing Oxygen Reduction in Alkaline Media Xue Jia, Hao Li Journal of Materials Chemistry A, 2024 Benchmarking pH-Field Coupled Microkinetic Modeling Against Oxygen Reduction in Large-Scale Fe-Azaphthalocyanine Catalysts Di Zhang, Yutaro Hirai, Koki Nakamura, Koju Ito, Yasutaka Matsuo, Kosuke Ishibashi, Yusuke Hashimoto, Hiroshi Yabu, Hao Li Chemical Science, 2024 Origin of the Electrocatalytic Nitrogen Reduction Activity over Transition Metal Disulfides: The Critical Role of the In Situ Generation of S Vacancy Tianyi Wang, Zhongyuan Guo, Hirofumi Oka, Akichika Kumatani, Chuangwei Liu, Hao Li Journal of Materials Chemistry A, 2024 A Doping‐Induced SrCo0.4Fe0.6O3/CoFe2O4 Nanocomposite for Efficient Oxygen Evolution in Alkaline Media Heng Liu, Yuan Wang, Pengfei Tan, Egon C. dos Santos, Stuart Holmes, Hao Li, Jun Pan, Carmine D'Agostino Small, Dec 18, 2023 Enhanced Ion Transport Through Mesopores Engineered with Additional Adsorption of Layered Double Hydroxides Array in Alkaline Flow Batteries Pengfei Wang, Kun Zhang, Hao Li, Jing Hu, Menglian Zheng Small, Dec 14, 2023

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