| Electronic origins of photocatalytic activity in d0 metal organic frameworks MA Nasalevich, CH Hendon, JG Santaclara, K Svane, B Van Der Linden, ... Scientific reports 6 (1), 1-9, 2016 | 235 | 2016 |
| How strong is the hydrogen bond in hybrid perovskites? KL Svane, AC Forse, CP Grey, G Kieslich, AK Cheetham, A Walsh, ... The journal of physical chemistry letters 8 (24), 6154-6159, 2017 | 207 | 2017 |
| Computational materials design of crystalline solids KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh Chemical Society Reviews 45 (22), 6138-6146, 2016 | 125 | 2016 |
| Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst C Yang, G Rousse, K Louise Svane, PE Pearce, AM Abakumov, ... Nature communications 11 (1), 1378, 2020 | 97 | 2020 |
| A surface coordination network based on copper adatom trimers F Bebensee, K Svane, C Bombis, F Masini, S Klyatskaya, F Besenbacher, ... Angewandte Chemie International Edition 53 (47), 12955-12959, 2014 | 79 | 2014 |
| Vacancy defect configurations in the metal–organic framework UiO-66: energetics and electronic structure KL Svane, JK Bristow, JD Gale, A Walsh Journal of Materials Chemistry A 6 (18), 8507-8513, 2018 | 59 | 2018 |
| 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 | 54 | 2016 |
| 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 | 52 | 2016 |
| 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 | 49 | 2016 |
| Adsorption and dehydrogenation of tetrahydroxybenzene on Cu (111) F Bebensee, K Svane, C Bombis, F Masini, S Klyatskaya, F Besenbacher, ... Chemical communications 49 (81), 9308-9310, 2013 | 46 | 2013 |
| Theoretical optimization of compositions of high‐entropy oxides for the oxygen evolution reaction KL Svane, J Rossmeisl Angewandte Chemie 134 (19), e202201146, 2022 | 43 | 2022 |
| Improving the Activity of M−N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption KL Svane, M Reda, T Vegge, HA Hansen ChemSusChem 12 (23), 5133-5141, 2019 | 35 | 2019 |
| Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite SK Wallace, KL Svane, WP Huhn, T Zhu, DB Mitzi, V Blum, A Walsh Sustainable Energy & Fuels 1 (6), 1339-1350, 2017 | 34 | 2017 |
| Hydrogen Bonding versus Entropy: Revealing the Underlying Thermodynamics of the Hybrid Organic–Inorganic Perovskite [CH3NH3]PbBr3 G Kieslich, JM Skelton, J Armstrong, Y Wu, F Wei, KL Svane, A Walsh, ... Chemistry of Materials 30 (24), 8782-8788, 2018 | 33 | 2018 |
| A comparison of single and double Co sites incorporated in N-doped graphene for the oxygen reduction reaction KL Svane, HA Hansen, T Vegge Journal of catalysis 393, 230-237, 2021 | 28 | 2021 |
| Chemical bonding at the metal–organic framework/metal oxide interface: simulated epitaxial growth of MOF-5 on rutile TiO 2 JK Bristow, KT Butler, KL Svane, JD Gale, A Walsh Journal of materials chemistry A 5 (13), 6226-6232, 2017 | 26 | 2017 |
| Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture RC Penner, ES Andersen, JL Jensen, AK Kantcheva, M Bublitz, P Nissen, ... Nature communications 5 (1), 5803, 2014 | 26 | 2014 |
| Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl) ethylamine and ketopantolactone on Pt (111) K Svane, Y Dong, MN Groves, V Demers-Carpentier, JC Lemay, ... Catalysis Science & Technology 5 (2), 743-753, 2015 | 20 | 2015 |
| Heterometallic perovskite-type metal–organic framework with an ammonium cation: structure, phonons, and optical response of [NH 4] Na 0.5 Cr x Al 0.5− x (HCOO) 3 (x= 0, 0.025 … M Ptak, D Stefańska, A Gągor, KL Svane, A Walsh, W Paraguassu Physical Chemistry Chemical Physics 20 (34), 22284-22295, 2018 | 19 | 2018 |
| Quantifying Thermal Disorder in Metal–Organic Frameworks: Lattice Dynamics and Molecular Dynamics Simulations of Hybrid Formate Perovskites KL Svane, A Walsh The Journal of Physical Chemistry C 121 (1), 421-429, 2017 | 19 | 2017 |
Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
