Aron Walsh

Research interests

Publications

• Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures

  Nature Energy · 2020 · https://doi.org/10.1038/s41560-019-0529-5

• Machine learning for molecular and materials science

  Nature · 2018 · https://doi.org/10.1038/s41586-018-0337-2

• Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH 3 NH 3 PbI 3 *

  Chinese Physics Letters · 2018 · https://doi.org/10.1088/0256-307x/35/3/036104

• The 2019 materials by design roadmap

  Journal of Physics D Applied Physics · 2018 · https://doi.org/10.1088/1361-6463/aad926

• How Strong Is the Hydrogen Bond in Hybrid Perovskites?

  The Journal of Physical Chemistry Letters · 2017 · https://doi.org/10.1021/acs.jpclett.7b03106

• Electronic origins of photocatalytic activity in d0 metal organic frameworks

  Scientific Reports · 2016 · https://doi.org/10.1038/srep23676

• Ionic transport in hybrid lead iodide perovskite solar cells

  Nature Communications · 2015 · https://doi.org/10.1038/ncomms8497

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

  Advanced Functional Materials · 2015 · https://doi.org/10.1002/adfm.201502272

• Nanocrystals of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut

  Nano Letters · 2015 · https://doi.org/10.1021/nl5048779

• Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells

  Nano Letters · 2014 · https://doi.org/10.1021/nl500390f

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

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

• Band alignment of rutile and anatase TiO2

  Nature Materials · 2013 · https://doi.org/10.1038/nmat3697

• 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

• Abundance of Cu Zn + Sn Zn and 2Cu Zn + Sn Zn defect clusters in kesterite solar cells

  Applied Physics Letters · 2012 · https://doi.org/10.1063/1.4768215

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

  Physical Review B · 2011 · https://doi.org/10.1103/physrevb.83.125201

• Structural diversity and electronic properties of Cu 2 Sn X3 ( X=S , Se): A first-principles investigation

  Physical Review B · 2011 · https://doi.org/10.1103/physrevb.84.075213

• 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

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

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

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

  Physical Review B · 2010 · https://doi.org/10.1103/physrevb.82.195203

• Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI 2 compounds

  Physical Review B · 2009 · https://doi.org/10.1103/physrevb.79.165211

• Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors

  Applied Physics Letters · 2009 · https://doi.org/10.1063/1.3143626

• 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

• Origins of band-gap renormalization in degenerately doped semiconductors

  Physical Review B · 2008 · https://doi.org/10.1103/physrevb.78.075211

• Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO

  Physical Review Letters · 2008 · https://doi.org/10.1103/physrevlett.100.256401

• Electronic structure and phase stability of MgO, ZnO, CdO, and related ternary alloys

  Physical Review B · 2008 · https://doi.org/10.1103/physrevb.77.245209

• 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

• Structural, magnetic, and electronic properties of the Co-Fe-Al oxide spinel system: Density-functional theory calculations

  Physical Review B · 2007 · https://doi.org/10.1103/physrevb.76.165119

Current projects

No projects listed.