Su‐Huai Wei

Research interests

Publications

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

  Journal of the American Chemical Society · 2017 · https://doi.org/10.1021/jacs.6b09645

• Gas sensing in 2D materials

  Applied Physics Reviews · 2017 · https://doi.org/10.1063/1.4983310

• Van der Waals metal-semiconductor junction: Weak Fermi level pinning enables effective tuning of Schottky barrier

  Science Advances · 2016 · https://doi.org/10.1126/sciadv.1600069

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

  Chemistry of Materials · 2015 · https://doi.org/10.1021/acs.chemmater.5b04107

• Halide perovskite materials for solar cells: a theoretical review

  Journal of Materials Chemistry A · 2014 · https://doi.org/10.1039/c4ta05033a

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

  Angewandte Chemie International Edition · 2014 · https://doi.org/10.1002/anie.201409740

• Classification of Lattice Defects in the Kesterite Cu 2 ZnSnS 4 and Cu 2 ZnSnSe 4 Earth‐Abundant Solar Cell Absorbers

  Advanced Materials · 2013 · https://doi.org/10.1002/adma.201203146

• Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu 2 ZnSnS 4

  Advanced Energy Materials · 2012 · https://doi.org/10.1002/aenm.201100630

• Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4

  Applied Physics Letters · 2010 · https://doi.org/10.1063/1.3275796

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

  Physical Review B · 2010 · https://doi.org/10.1103/physrevb.81.245204

• Design of Narrow-Gap TiO2 : A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

  Physical Review Letters · 2009 · https://doi.org/10.1103/physrevlett.102.036402

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

  Chemistry of Materials · 2009 · https://doi.org/10.1021/cm802894z

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

  Applied Physics Letters · 2009 · https://doi.org/10.1063/1.3074499

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

  Physical Review Letters · 2008 · https://doi.org/10.1103/physrevlett.100.167402

• Doping by Large-Size-Mismatched Impurities: The Microscopic Origin of Arsenic- or Antimony-Doped p -Type Zinc Oxide

  Physical Review Letters · 2004 · https://doi.org/10.1103/physrevlett.92.155504

• Overcoming the doping bottleneck in semiconductors

  Computational Materials Science · 2004 · https://doi.org/10.1016/j.commatsci.2004.02.024

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

  Physical review. B, Condensed matter · 2002 · https://doi.org/10.1103/physrevb.66.073202

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

  Physical review. B, Condensed matter · 2002 · https://doi.org/10.1103/physrevb.66.155211

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

  Physical review. B, Condensed matter · 2001 · https://doi.org/10.1103/physrevb.63.075205

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

  Physical review. B, Condensed matter · 1999 · https://doi.org/10.1103/physrevb.60.5404

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

  Applied Physics Letters · 1998 · https://doi.org/10.1063/1.121249

• Defect physics of the CuInSe 2 chalcopyrite semiconductor

  Physical review. B, Condensed matter · 1998 · https://doi.org/10.1103/physrevb.57.9642

• Special quasirandom structures

  Physical Review Letters · 1990 · https://doi.org/10.1103/physrevlett.65.353

• Electronic properties of random alloys: Special quasirandom structures

  Physical review. B, Condensed matter · 1990 · https://doi.org/10.1103/physrevb.42.9622

• Role of metal d states in II-VI semiconductors

  Physical review. B, Condensed matter · 1988 · https://doi.org/10.1103/physrevb.37.8958

Current projects

No projects listed.