Su-Huai Wei

Research.com Recognitions

• 2026 - Research.com Materials Science in China Leader Award
• 2026 - Research.com Physics in China Leader Award
• 2025 - Research.com Materials Science in China Leader Award
• 2025 - Research.com Physics in China Leader Award
• 2014 - Fellow of the Materials Research Society
• 1999 - Fellow of American Physical Society (APS) Citation For contributions to the understanding of electronic structures and stabilities of compounds, alloys, interfaces, superlattices and impurities using firstprinciples calculations and for development of the methods for such calculations

Overview

Best Publications

• Special quasirandom structures.

  Alex Zunger;S.-H. Wei;L. G. Ferreira;James E. Bernard

  3998
  Citations

• Intrinsic n -type versus p -type doping asymmetry and the defect physics of ZnO

  S. B. Zhang;S.-H. Wei;Alex Zunger

  2380
  Citations

• Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

  Zhen Li;Mengjin Yang;Ji-Sang Park;Su-Huai Wei

  2045
  Citations

• Defect physics of the CuInSe 2 chalcopyrite semiconductor

  S. B. Zhang;Su-Huai Wei;Alex Zunger;H. Katayama-Yoshida

  1691
  Citations

• Origin of p -type doping difficulty in ZnO: The impurity perspective

  C. H. Park;C. H. Park;S. B. Zhang;Su-Huai Wei

  1588
  Citations

• 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

  1583
  Citations

• Halide perovskite materials for solar cells: a theoretical review

  Wan-Jian Yin;Wan-Jian Yin;Ji-Hui Yang;Joongoo Kang;Yanfa Yan

  1501
  Citations

• Electronic properties of random alloys : special quasirandom structures

  S.-H. Wei;L. G. Ferreira;James E. Bernard;Alex Zunger

  1195
  Citations

• Calculated natural band offsets of all II–VI and III–V semiconductors: Chemical trends and the role of cation d orbitals

  Su-Huai Wei;Alex Zunger

  988
  Citations

• Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

  Xin-Gang Zhao;Ji-Hui Yang;Yuhao Fu;Dongwen Yang

  941
  Citations

• 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

  901
  Citations

• Design of narrow-gap TiO2: a passivated codoping approach for enhanced photoelectrochemical activity.

  Yanqin Gai;Jingbo Li;Shu-Shen Li;Jian-Bai Xia

  880
  Citations

• 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

  879
  Citations

• Nature of the Band Gap of In2O3 Revealed by First-Principles Calculations and X-Ray Spectroscopy

  Aron Walsh;Juarez L.F. Da Silva;Su Huai Wei;C. Körber

  821
  Citations

• Chemical trends of defect formation and doping limit in II-VI semiconductors: The case of CdTe

  Su-Huai Wei;S. B. Zhang

  815
  Citations

• Doping by large-size-mismatched impurities: the microscopic origin of arsenic- or antimony-doped p-type zinc oxide.

  Sukit Limpijumnong;Sukit Limpijumnong;S. B. Zhang;Su-Huai Wei;C. H. Park;C. H. Park

  801
  Citations

• Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

  Aron Walsh;Yanfa Yan;Muhammad N. Huda;Mowafak M. Al-Jassim

  795
  Citations

• Gas sensing in 2D materials

  Shengxue Yang;Chengbao Jiang;Su-huai Wei

  792
  Citations

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

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

  782
  Citations

• Role of metal d states in II-VI semiconductors

  S.-H. Wei;Alex Zunger

  751
  Citations

• Predicted band-gap pressure coefficients of all diamond and zinc-blende semiconductors: Chemical trends

  Su-Huai Wei;Alex Zunger

  730
  Citations