1 code implementation • 25 Mar 2024 • Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully
This approach overlooks other potentially interesting materials that lie in neighbouring local minima and have different material properties such as conductivity or resistance to deformation.
no code implementations • 6 Mar 2024 • Marta Wolinska, Aron Walsh, Antoine Cully
Consequently, we also show the value of using neural networks to model crystal properties and enable the identification of novel composition--structure combinations.
no code implementations • 14 May 2020 • Sebastian Reichert, Qingzhi An, Young-Won Woo, Aron Walsh, Yana Vaynzof, Carsten Deibel
Metal halide perovskites are a remarkable class of materials with particular promise for application in optoelectronics.
Applied Physics Materials Science
no code implementations • 15 Jan 2020 • Eline M. Hutter, Loreta A. Muscarella, Francesca Wittmann, Jan Versluis, Lucie McGovern, Huib J. Bakker, Young-Won Woo, Young-Kwang Jung, Aron Walsh, Bruno Ehrler
Mixing iodide and bromide in halide perovskite semiconductors is an effective strategy to tune their bandgap, therefore mixed-halide perovskites hold great promise for color-tunable LEDs and tandem solar cells.
Chemical Physics
1 code implementation • 6 Nov 2018 • Lucy D. Whalley, Jarvist M. Frost, Benjamin J. Morgan, Aron Walsh
For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e. g. exciton binding energies), defect properties (e. g. donor and acceptor levels) and transport properties (e. g. carrier mobilities).
Materials Science
