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D-Index & Metrics

Chemistry

D-Index
80
Citations
27828
World Ranking
3374
National Ranking
620

Overview

Xin Xu is a researcher affiliated with Fudan University in China with significant contributions in the fields of materials chemistry, renewable energy, and atomic and molecular physics. Their work spans various interdisciplinary subfields including molecular biology and electrical and electronic engineering.

The main subfields of study covered by Xin Xu include:

  • Materials Chemistry
  • Renewable Energy, Sustainability and the Environment
  • Atomic and Molecular Physics, and Optics
  • Molecular Biology
  • Electrical and Electronic Engineering

Their primary research topics focus on advanced chemical physics studies, electrocatalysts for energy conversion, catalytic processes in materials science, machine learning applications in materials science, advanced photocatalysis techniques, protein structure and dynamics, and carbon dioxide utilization in catalysis.

  • Advanced Chemical Physics Studies
  • Electrocatalysts for Energy Conversion
  • Catalytic Processes in Materials Science
  • Machine Learning in Materials Science
  • Advanced Photocatalysis Techniques
  • Protein Structure and Dynamics
  • Carbon dioxide utilization in catalysis

Xin Xu has coauthored extensively with a number of collaborators, reflecting a broad and active research network. Frequent coauthors include:

  • Zheng Chen
  • Zhangyun Liu
  • Sai Duan
  • Igor Ying Zhang
  • Tonghao Shen

The researcher's work has been published in various high-profile journals with multiple publications in renowned venues such as:

  • ACS Catalysis
  • Journal of Chemical Theory and Computation
  • Journal of the American Chemical Society
  • JACS Au
  • Nature Communications

Notable recent papers authored by Xin Xu include:

  • Boosting CO2 Electroreduction to CH4 via Tuning Neighboring Single-Copper Sites (2020), ACS Energy Letters
  • Efficient Electrocatalytic CO2 Reduction to C2+ Alcohols at Defect-Site-Rich Cu Surface (2021), Joule
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022), Physical Chemistry Chemical Physics
  • Ultrastable supported oxygen evolution electrocatalyst formed by ripening-induced embedding (2025), Science
  • Synergistic effects for boosted persulfate activation in a designed Fe-Cu dual-atom site catalyst (2021), Chemical Engineering Journal

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems

    Adri C. T. van Duin;Alejandro Strachan;Shannon Stewman;Qingsong Zhang

  • The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

    Xin Xu;William A. Goddard

  • In Situ Growth of Co0.85Se and Ni0.85Se on Conductive Substrates as High-Performance Counter Electrodes for Dye-Sensitized Solar Cells

    Feng Gong;Hong Wang;Xin Xu;Gang Zhou

  • Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO2 Reduction to CH4

    Yifei Wang;Zheng Chen;Peng Han;Yonghua Du

  • Boosting CO2 Electroreduction to CH4 via Tuning Neighboring Single-Copper Sites

    Anxiang Guan;Zheng Chen;Yueli Quan;Chen Peng

  • Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

    Ying Zhang;Xin Xu;William A. Goddard

  • New Alkali Doped Pillared Carbon Materials Designed to Achieve Practical Reversible Hydrogen Storage for Transportation

    Wei-Qiao Deng;Xin Xu;William A. Goddard

  • Doping strain induced bi-Ti 3+ pairs for efficient N 2 activation and electrocatalytic fixation

    Na Cao;Zheng Chen;Ketao Zang;Jie Xu

  • Antibody catalysis of the oxidation of water

    Paul Wentworth;Lyn H. Jones;Anita D. Wentworth;Xueyong Zhu

  • Surface Catalytic Coupling Reaction of p-Mercaptoaniline Linking to Silver Nanostructures Responsible for Abnormal SERS Enhancement: A DFT Study

    De-Yin Wu;Xiu-Min Liu;Yi-Fan Huang;Bin Ren

  • Efficient Electrocatalytic CO2 Reduction to C2+ Alcohols at Defect-Site-Rich Cu Surface

    Zhengxiang Gu;Hao Shen;Zheng Chen;Yaoyue Yang

  • Extending the reliability and applicability of B3LYP

    Igor Ying Zhang;Jianming Wu;Xin Xu

  • NiSe2 as an efficient electrocatalyst for a Pt-free counter electrode of dye-sensitized solar cells

    Feng Gong;Xin Xu;Zhuoqun Li;Gang Zhou

  • Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories

    Xin Xu;William A. Goddard

  • Revealing the molecular structure of single-molecule junctions in different conductance states by fishing-mode tip-enhanced Raman spectroscopy

    Zheng Liu;Song-Yuan Ding;Zhao-Bin Chen;Xiang Wang

  • Chemical enhancement effects in SERS spectra: A quantum chemical study of pyridine interacting with copper, silver, gold and platinum metals

    De-Yin Wu, ,†;† Xiu-Min Liu;Sai Duan;Xin Xu

  • An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems

    Xin Xu;Qingsong Zhang;Richard P. Muller;William A. Goddard

  • The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems

    Xin Xu;William A. Goddard

  • Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules.

    Éric Brémond;Marika Savarese;Neil Qiang Su;Ángel José Pérez-Jiménez

Frequent Co-Authors

Simeon Agathopoulos
Simeon Agathopoulos University of Ioannina
Zhong-Qun Tian
Zhong-Qun Tian Xiamen University
William A. Goddard
William A. Goddard California Institute of Technology
Bin Ren
Bin Ren Xiamen University
Dong H. Zhang
Dong H. Zhang Dalian Institute of Chemical Physics
Yi Luo
Yi Luo University of Science and Technology of China
Zhaoxiong Xie
Zhaoxiong Xie Xiamen University
Toshiyuki Nishimura
Toshiyuki Nishimura National Institute for Materials Science
Rong-Jun Xie
Rong-Jun Xie Xiamen University
Huilin Wan
Huilin Wan Xiamen University

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