World's Best Scientists 2026 revealed!
Xingao Gong

Xingao Gong

D-Index & Metrics

Materials Science

D-Index
74
Citations
23215
World Ranking
3579
National Ranking
1147

Research.com Recognitions

  • 2009 - Fellow of American Physical Society (APS) Citation For innovative theoretical studies of the properties of clusters and wires, development of theoretical treatments of pressure effects on materials, and for tireless promotion of international collaborations in computational materials physics

Overview

Xingao Gong is affiliated with Fudan University in China and has an extensive publication record primarily in the fields of Materials Science and Engineering. Their research covers key subfields such as Materials Chemistry, Electrical and Electronic Engineering, Atomic and Molecular Physics, and Artificial Intelligence.

The scientist has contributed significantly to topics including Machine Learning in Materials Science, 2D Materials and Applications, Chalcogenide Semiconductor Thin Films, Perovskite Materials and Applications, Quantum Dots Synthesis and Properties, MXene and MAX Phase Materials, and Topic Modeling.

Recent papers authored by Gong feature diverse advanced computational and materials research, notably:

  • Crystal structure prediction by combining graph network and optimization algorithm (2022), Nature Communications
  • Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids (2023), npj Computational Materials
  • Kinetic pathway of γ-to-δ phase transition in CsPbI3 (2022), Chem
  • Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations (2022), Nature Computational Science
  • Machine-learning assisted high-throughput discovery of solid-state electrolytes for Li-ion batteries (2024), Journal of Materials Chemistry A

Gong collaborates frequently with a number of researchers, including Hongjun Xiang, Ji-Hui Yang, Hongyu Yu, Mao Su, and Yang Zhong, suggesting active engagement in collaborative projects.

Publication venues where Gong's work appears recurrently include arXiv, Physical Review B, Zenodo, The Journal of Chemical Physics, and Research Square.

In 2009, Gong was awarded the title of Fellow of the American Physical Society (APS) for innovative theoretical studies in computational materials physics and contributions to international collaborations.

Best Publications

  • Classification of lattice defects in the kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 earth-abundant solar cell absorbers.

    Shiyou Chen;Aron Walsh;Xin Gao Gong;Su Huai Wei

  • Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

    Shiyou Chen;X. G. Gong;Aron Walsh;Su Huai Wei

  • Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu(2)ZnSnS(4)

    Shiyou Chen;Shiyou Chen;Ji Hui Yang;X. G. Gong;Aron Walsh

  • Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4

    Aron Walsh;Shiyou Chen;Shiyou Chen;Su Huai Wei;Xin Gao Gong

  • Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

    Aron Walsh;David O. Scanlon;Shiyou Chen;Xingao Gong

  • Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI2 compounds

    Shiyou Chen;X. G. Gong;Aron Walsh;Su Huai Wei

  • Compositional dependence of structural and electronic properties of Cu 2 ZnSn(S,Se) 4 alloys for thin film solar cells

    Shiyou Chen;Shiyou Chen;Aron Walsh;Ji Hui Yang;X. G. Gong

  • Thermal conductivity of graphene nanoribbons

    Zhixin Guo;Dier Zhang;Xin-Gao Gong

  • Magnetic properties and energy-mapping analysis

    Hongjun Xiang;Changhoon Lee;Hyun-Joo Koo;Xingao Gong

  • An Optimized Ultraviolet‐A Light Photodetector with Wide‐Range Photoresponse Based on ZnS/ZnO Biaxial Nanobelt

    Linfeng Hu;Jian Yan;Meiyong Liao;Hongjun Xiang

  • WO3 Nanoflakes for Enhanced Photoelectrochemical Conversion

    Wenjie Li;Peimei Da;Yueyu Zhang;Yongcheng Wang

  • Predicting the spin-lattice order of frustrated systems from first principles

    H. J. Xiang;E. J. Kan;Su-Huai Wei;M.-H. Whangbo

  • Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method

    Xinyu Luo;Jihui Yang;Hanyu Liu;Xiaojun Wu

  • Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors

    Shiyou Chen;Shiyou Chen;Aron Walsh;Aron Walsh;Ye Luo;Ji Hui Yang

  • Engineering Solar Cell Absorbers by Exploring the Band Alignment and Defect Disparity: The Case of Cu‐ and Ag‐Based Kesterite Compounds

    Zhen Kun Yuan;Shiyou Chen;Hongjun Xiang;Xin Gao Gong

  • Valley and band structure engineering of folded MoS2 bilayers

    Tao Jiang;Hengrui Liu;Di Huang;Shuai Zhang

  • Influence of Defects and Synthesis Conditions on the Photovoltaic Performance of Perovskite Semiconductor CsSnI3

    Peng Xu;Shiyou Chen;Hong-Jun Xiang;Xin-Gao Gong

  • First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites

    Li Lang;Ji-Hui Yang;Heng-Rui Liu;H.J. Xiang

  • Generalized simulated annealing algorithm and its application to the Thomson model

    Y Xiang;D.Y Sun;W Fan;X.G Gong

  • Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3

    Yue Yu Zhang;Shiyou Chen;Peng Xu;Hongjun Xiang

  • Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction

    Wan-Jian Yin;Shiyou Chen;Ji-Hui Yang;Xin-Gao Gong

  • Structural diversity and electronic properties of Cu2SnX3 (X=S, Se): A first-principles investigation

    Yingteng Zhai;Shiyou Chen;Jihui Yang;Hongjun Xiang

Frequent Co-Authors

Hongjun Xiang
Hongjun Xiang Fudan University
Shiyou Chen
Shiyou Chen Fudan University
Su-Huai Wei
Su-Huai Wei Eastern Institute of Technology, Ningbo
Aron Walsh
Aron Walsh Imperial College London
Qiang Sun
Qiang Sun Peking University
Wan-Jian Yin
Wan-Jian Yin Soochow University
Gengfeng Zheng
Gengfeng Zheng Fudan University
Myung-Hwan Whangbo
Myung-Hwan Whangbo North Carolina State University
Jing Tang
Jing Tang East China Normal University
Biao Kong
Biao Kong Fudan University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Best Scientists Citing Xingao Gong

Trending Scientists

Recently Published Articles