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Chemistry

D-Index
59
Citations
18503
World Ranking
9999
National Ranking
1659

Overview

Hai Xiao is affiliated with Tsinghua University in China and has contributed extensively to research in the fields of Energy and Materials Science. Their scholarly work spans multiple subfields including Renewable Energy, Sustainability and the Environment, Materials Chemistry, Electrical and Electronic Engineering, Catalysis, and Organic Chemistry.

Their research primarily focuses on topics such as Electrocatalysts for Energy Conversion, Catalytic Processes in Materials Science, CO2 Reduction Techniques and Catalysts, Advanced Photocatalysis Techniques, Ammonia Synthesis and Nitrogen Reduction, Advanced Battery Technologies Research, and Electrochemical Analysis and Applications.

Hai Xiao has published numerous papers in several well-regarded scientific journals. Frequent publication venues include the Journal of the American Chemical Society, Nature Communications, ACS Catalysis, Angewandte Chemie International Edition, and Angewandte Chemie.

Frequent collaborators in their work include Jun Li, Chen Chen, Zhaoming Xia, Zewen Zhuang, and Yadong Li.

Representative recent papers by Hai Xiao include:

  • Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance, 2020, Chemical Reviews
  • Identification of the Electronic and Structural Dynamics of Catalytic Centers in Single-Fe-Atom Material, 2020, Chem
  • Interfacial water engineering boosts neutral water reduction, 2022, Nature Communications
  • Constructing FeN4/graphitic nitrogen atomic interface for high-efficiency electrochemical CO2 reduction over a broad potential window, 2021, Chem
  • Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy, 2020, Journal of the American Chemical Society

Best Publications

  • Direct observation of noble metal nanoparticles transforming to thermally stable single atoms.

    Shengjie Wei;Ang Li;Jin-Cheng Liu;Zhi Li

  • Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO 2

    Jiqing Jiao;Jiqing Jiao;Rui Lin;Shoujie Liu;Weng Chon Cheong

  • Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction

    Qiheng Li;Wenxing Chen;Hai Xiao;Yue Gong

  • Accurate Band Gaps for Semiconductors from Density Functional Theory

    Hai Xiao;Jamil Tahir-Kheli;William A. Goddard

  • Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance.

    Hong-Ying Zhuo;Hong-Ying Zhuo;Xin Zhang;Jin-Xia Liang;Qi Yu

  • Heterogeneous Fe 3 single-cluster catalyst for ammonia synthesis via an associative mechanism

    Jin-Cheng Liu;Xue-Lu Ma;Yong Li;Yang-Gang Wang

  • Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K.

    Tao Cheng;Hai Xiao;William A. Goddard

  • Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

    Yuanyue Liu;Hai Xiao;William A. Goddard

  • Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2.

    Hai Xiao;William A. Goddard;Tao Cheng;Yuanyue Liu

  • Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction.

    Hai Xiao;Hyeyoung Shin;William A. Goddard

  • Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

    Hai Xiao;Tao Cheng;William A. Goddard;Ravishankar Sundararaman

  • Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation.

    Jiajian Gao;Cong Qiao Xu;Sung Fu Hung;Wei Liu

  • Subsurface oxide plays a critical role in CO2 activation by Cu(111) surfaces to form chemisorbed CO2, the first step in reduction of CO2

    Marco Favaro;Hai Xiao;Tao Cheng;William A. Goddard

  • Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water.

    Tao Cheng;Hai Xiao;William A. Goddard

  • Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)

    Hai Xiao;Tao Cheng;William A. Goddard

  • Monolayer atomic crystal molecular superlattices

    Chen Wang;Qiyuan He;Udayabagya Halim;Yuanyue Liu

  • Constructing NiCo/Fe3O4 Heteroparticles within MOF-74 for Efficient Oxygen Evolution Reactions

    Xiaolu Wang;Hai Xiao;Ang Li;Zhi Li

  • Identification of the Electronic and Structural Dynamics of Catalytic Centers in Single-Fe-Atom Material

    Xuning Li;Xuning Li;Chang Su Cao;Sung Fu Hung;Ying Rui Lu

  • Selective photoelectrochemical oxidation of glycerol to high value-added dihydroxyacetone

    Dong Liu;Jin-Cheng Liu;Weizheng Cai;Jun Ma

  • In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–xFexOOH) Catalysts for Oxygen Evolution Reaction

    Hyeyoung Shin;Hai Xiao;William A. Goddard

  • Three-dimensional open nano-netcage electrocatalysts for efficient pH-universal overall water splitting

    Zewen Zhuang;Yu Wang;Cong-Qiao Xu;Shoujie Liu

Frequent Co-Authors

William A. Goddard
William A. Goddard California Institute of Technology
Jun Li
Jun Li National University of Singapore
J. Fraser Stoddart
J. Fraser Stoddart Northwestern University
Chen Chen
Chen Chen Chongqing University
Yadong Li
Yadong Li Tsinghua University
Dingsheng Wang
Dingsheng Wang Tsinghua University
Qing Peng
Qing Peng Tsinghua University
Michael R. Wasielewski
Michael R. Wasielewski Northwestern University
Hongbin Yang
Hongbin Yang City University of Hong Kong
Bin Liu
Bin Liu National University of Singapore

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