The origin of the stereochemically active Pb(II) lone pair : DFT calculations on PbO and PbSWALSH, Aron; WATSON, Graeme W.Journal of solid state chemistry (Print). 2005, Vol 178, Num 5, pp 1422-1428, issn 0022-4596, 7 p.Article

Evolutionary structure prediction and electronic properties of indium oxide nanoclustersWALSH, Aron; WOODLEY, Scott M.PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 30, pp 8446-8453, issn 1463-9076, 8 p.Article

Electronic structures of rocksalt, litharge, and herzenbergite SnO by density functional theoryWALSH, Aron; WATSON, Graeme W.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 235114.1-235114.7, issn 1098-0121Article

Photostimulated Reduction Processes in a Titania Hybrid Metal-Organic FrameworkWALSH, Aron; RICHARD, C; CATLOW, A et al.ChemPhysChem (Print). 2010, Vol 11, Num 11, pp 2341-2344, issn 1439-4235, 4 p.Article

Multi-component transparent conducting oxides: progress in materials modelling : SEMICONDUCTING OXIDESWALSH, Aron; DA SILVA, Juarez L. F; WEI, Su-Huai et al.Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 33, issn 0953-8984, 334210.1-334210.12Article

Experimental and theoretical study of the electronic structures of α-PbO and β-PbO₂PAYNE, David J; EGDELL, Russell G; LAW, Danny S. L et al.Journal of material chemistry. 2007, Vol 17, Num 3, pp 267-277, issn 0959-9428, 11 p.Article

A theoretical and experimental study of the distorted pyrochlore Bi₂Sn₂O₇WALSH, Aron; WATSON, Graeme W; PAYNE, David J et al.Journal of material chemistry. 2006, Vol 16, Num 34, pp 3452-3458, issn 0959-9428, 7 p.Article

Prediction of (TiO₂)_x(Cu₂O)_y alloys for efficient photoelectrochemical water splittingLIU, Heng-Rui; YANG, Ji-Hui; ZHANG, Yue-Yu et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 6, pp 1778-1781, issn 1463-9076, 4 p.Article

Structural and electronic properties of CuSbS₂ and CuBiS₂: potential absorber materials for thin-film solar cellsDUFTON, Jesse T. R; WALSH, Aron; PANCHMATIA, Pooja M et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 20, pp 7229-7233, issn 1463-9076, 5 p.Article

Ultra-thin oxide films for band engineering: design principles and numerical experimentsBUTLER, Keith T; WALSH, Aron.Thin solid films. 2014, Vol 559, pp 64-68, issn 0040-6090, 5 p.Conference Paper

On the problem of cluster structure diversity and the value of data miningSOKOL, Alexey A; CATLOW, C. Richard A; MISKUFOVA, Martina et al.PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 30, pp 8438-8445, issn 1463-9076, 8 p.Article

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar CellsFROST, Jarvist M; BUTTER, Keith T; BRIVIO, Federico et al.Nano letters (Print). 2014, Vol 14, Num 5, pp 2584-2590, issn 1530-6984, 7 p.Article

Electronic Structures of Antimony OxidesALLEN, Jeremy P; CAREY, John J; WALSH, Aron et al.Journal of physical chemistry. C. 2013, Vol 117, Num 28, pp 14759-14769, issn 1932-7447, 11 p.Article

Electron and hole stability in GaN and ZnO : SEMICONDUCTING OXIDESWALSH, Aron; CATLOW, C. Richard A; MISKUFOVA, Martina et al.Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 33, issn 0953-8984, 334217.1-334217.6Article

Experimental and theoretical study of the electronic structure of HgO and Tl₂O₃GLANS, Per-Anders; LEARMONTH, Timothy; SMITH, Kevin E et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 23, pp 235109.1-235109.14, issn 1098-0121Article