2.4k citations · 3k across the 7 of their papers we have counts for
5 papers · 1 filter
Metal-free perovskites for non-linear optical materials
Thomas W. Kasel, Zeyu Deng, Austin M. Mroz +3
We identify the existence of nonlinear optical (NLO) activity in a number of novel -type metal-free perovskites, where is a highly tuneable organic cation, is a NH$_…
Surface Restructuring of Nickel Sulfide Generates Optimally-Coordinated Active Sites for ORR Catalysis
Bing Yan, Dilip Krishnamurthy, Christopher H. Hendon +3
First-row transition metal oxides and chalcogenides have been found to rival the performance of precious metal-based catalysts for the interconversion of water and O. The high…
Crystal structure optimisation using an auxiliary equation of state
Adam J. Jackson, Jonathan M. Skelton, Christopher H. Hendon +2
Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation o…
Atomistic origins of high-performance in hybrid halide perovskite solar cells
Jarvist M. Frost, Keith T. Butler, Federico Brivio +3
The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitised and organic photovoltaics. High power conversion efficiency…
Electronic chemical potentials of porous metal-organic frameworks
Keith T. Butler, Christopher H. Hendon, Aron Walsh
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal-organic framewor…