Articles with public access mandates - Aron WalshLearn more
OverallEPSRCEuropean CommissionDOENSFRoyal Society UKUK Research & InnovationGovernment of SpainSFINSFCAcademy of FinlandDoDDFFARCDFGSTFCSwedish Research CouncilNIHFWONSERCResearch Council of LithuaniaNWOMRCNational Research Foundation, SingaporeSNSFDNRFBMBFVillum FoundationBanking Foundation "la Caixa"DSTIRCANRResearch Grants Council, Hong KongBELSPOUSEDGBMFCASHelmholtzFCTWellcomeNRFFondazione CariploGovernment of ItalyNAWA
Available somewhere: 334
Free energy of ligand removal in the metal–organic framework uio-66
JK Bristow, KL Svane, D Tiana, JM Skelton, JD Gale, A Walsh
The Journal of Physical Chemistry C 120 (17), 9276-9281, 2016
Mandates: US National Institutes of Health, Australian Research Council, UK …
Dynamical response and instability in ceria under lattice expansion
J Buckeridge, DO Scanlon, A Walsh, CRA Catlow, AA Sokol
Physical Review B—Condensed Matter and Materials Physics 87 (21), 214304, 2013
Mandates: UK Engineering and Physical Sciences Research Council
Rapid recombination by cadmium vacancies in CdTe
SR Kavanagh, A Walsh, DO Scanlon
ACS Energy Letters 6 (4), 1392-1398, 2021
Mandates: UK Engineering and Physical Sciences Research Council
Anharmonic lattice relaxation during nonradiative carrier capture
S Kim, SN Hood, A Walsh
Physical Review B 100 (4), 041202, 2019
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Identifying the ground state structures of point defects in solids
I Mosquera-Lois, SR Kavanagh, A Walsh, DO Scanlon
npj Computational Materials 9 (1), 25, 2023
Mandates: Banking Foundation "la Caixa", UK Engineering and Physical Sciences Research …
Electronic structure design for nanoporous, electrically conductive zeolitic imidazolate frameworks
KT Butler, SD Worrall, CD Molloy, CH Hendon, MP Attfield, RAW Dryfe, ...
Journal of Materials Chemistry C 5 (31), 7726-7731, 2017
Mandates: UK Engineering and Physical Sciences Research Council
A general forcefield for accurate phonon properties of metal–organic frameworks
JK Bristow, JM Skelton, KL Svane, A Walsh, JD Gale
Physical Chemistry Chemical Physics 18 (42), 29316-29329, 2016
Mandates: US National Institutes of Health, Australian Research Council, UK …
Microscopic origin of entropy-driven polymorphism in hybrid organic-inorganic perovskite materials
KT Butler, K Svane, G Kieslich, AK Cheetham, A Walsh
Physical Review B 94 (18), 180103, 2016
Mandates: German Research Foundation, UK Engineering and Physical Sciences Research …
Self-consistent hybrid functional calculations: implications for structural, electronic, and optical properties of oxide semiconductors
D Fritsch, BJ Morgan, A Walsh
Nanoscale Research Letters 12, 1-7, 2017
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Chemical principles for electroactive metal–organic frameworks
A Walsh, KT Butler, CH Hendon
MRS Bulletin 41 (11), 870-876, 2016
Mandates: US National Science Foundation, UK Engineering and Physical Sciences …
Data-driven discovery of photoactive quaternary oxides using first-principles machine learning
DW Davies, KT Butler, A Walsh
Chemistry of Materials 31 (18), 7221-7230, 2019
Mandates: UK Engineering and Physical Sciences Research Council, Royal Society UK
Lone-pair stabilization in transparent amorphous tin oxides: a potential route to p-type conduction pathways
MJ Wahila, KT Butler, ZW Lebens-Higgins, CH Hendon, AS Nandur, ...
Chemistry of Materials 28 (13), 4706-4713, 2016
Mandates: US National Science Foundation, US Department of Energy, Science Foundation …
Giant Huang–Rhys factor for electron capture by the iodine intersitial in perovskite solar cells
LD Whalley, P Van Gerwen, JM Frost, S Kim, SN Hood, A Walsh
Journal of the American Chemical Society 143 (24), 9123-9128, 2021
Mandates: UK Engineering and Physical Sciences Research Council, European Commission …
Three-electron two-centred bonds and the stabilisation of cationic sulfur radicals
CH Hendon, DR Carbery, A Walsh
Chemical Science 5 (4), 1390-1395, 2014
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Designing porous electronic thin-film devices: band offsets and heteroepitaxy
KT Butler, CH Hendon, A Walsh
Faraday discussions 201, 207-219, 2017
Mandates: US National Science Foundation, UK Engineering and Physical Sciences …
Variation in Surface Ionization Potentials of Pristine and Hydrated BiVO4
R Crespo-Otero, A Walsh
The Journal of Physical Chemistry Letters 6 (12), 2379-2383, 2015
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination
YT Huang, SR Kavanagh, M Righetto, M Rusu, I Levine, T Unold, ...
Nature communications 13 (1), 4960, 2022
Mandates: German Research Foundation, UK Engineering and Physical Sciences Research …
Resonant Raman scattering of ZnS x Se 1− x solid solutions: the role of S and Se electronic states
M Dimitrievska, H Xie, AJ Jackson, X Fontané, M Espíndola-Rodríguez, ...
Physical Chemistry Chemical Physics 18 (11), 7632-7640, 2016
Mandates: UK Engineering and Physical Sciences Research Council, European Commission …
Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal–organic frameworks
JW Gittins, CJ Balhatchet, Y Chen, C Liu, DG Madden, S Britto, ...
Journal of Materials Chemistry A 9 (29), 16006-16015, 2021
Mandates: UK Engineering and Physical Sciences Research Council, UK Medical Research …
Absorbate-induced piezochromism in a porous molecular crystal
CH Hendon, KE Wittering, TH Chen, W Kaveevivitchai, I Popov, KT Butler, ...
Nano letters 15 (3), 2149-2154, 2015
Mandates: US Department of Energy, UK Engineering and Physical Sciences Research …
Publication and funding information is determined automatically by a computer program