211 citations · 1.2k across the 28 of their papers we have counts for
5 papers · 1 filter
Identifying the ground state structures of point defects in solids
Irea Mosquera-Lois, Seán R. Kavanagh, Aron Walsh +1
Point defects are a universal feature of crystalline materials. Their identification is often addressed by combining experimental measurements with theoretical models. The standard…
Band Versus Polaron: Charge Transport in Antimony Chalcogenides
Xinwei Wang, Alex M. Ganose, Seán R. Kavanagh +1
Antimony sulfide (Sb2S3) and selenide (Sb2Se3) are emerging earth-abundant absorbers for photovoltaic applications. Solar cell performance depends strongly on charge carrier transp…
Band gap opening from displacive instabilities in layered covalent-organic frameworks
Ju Huang, Matthias J. Golomb, Seán R. Kavanagh +3
Covalent organic frameworks (COFs) offer a high degree of chemical and structural flexibility. There is a large family of COFs built from 2D sheets that are stacked to form extende…
Orbital-selective Band Hybridisation at the Charge Density Wave Transition in Monolayer TiTe
T. Antonelli, W. Rahim, M. D. Watson +12
An anomalous charge density wave (CDW) phase emerges in monolayer 1T-TiTe which is absent for the bulk compound, and whose origin is still poorly understood. Here,…
Impact of metastable defect structures on carrier recombination in solar cells
Seán R. Kavanagh, David O. Scanlon, Aron Walsh +1
The efficiency of a solar cell is often limited by electron-hole recombination mediated by defect states within the band gap of the photovoltaic (PV) semiconductor. The Shockley-Re…