Katrine L. Svane
Katrine L. Svane
Verified email at dtu.dk
TitleCited byYear
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, 23676, 2016
872016
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
482014
Computational materials design of crystalline solids
KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh
Chemical Society Reviews 45 (22), 6138-6146, 2016
392016
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
382017
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
292013
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
272016
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
252016
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
182016
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
152015
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, 2016
142016
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
102017
Magnetoelastic coupling in the cobalt adipate metal–organic framework from quasi-harmonic lattice dynamics
KL Svane, PJ Saines, A Walsh
Journal of Materials Chemistry C 3 (42), 11076-11080, 2015
92015
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, 5803, 2014
92014
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
82017
Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers
A Nuermaimaiti, V S-Falk, JL Cramer, KL Svane, B Hammer, KV Gothelf, ...
Chemical Communications 52 (97), 14023-14026, 2016
82016
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
62018
Thermodynamic aspects of dehydrogenation reactions on noble metal surfaces
KL Svane, B Hammer
The Journal of chemical physics 141 (17), 174705, 2014
62014
Stability and flexibility of heterometallic formate perovskites with the dimethylammonium cation: pressure-induced phase transitions
M Ptak, KL Svane, A Walsh, W Paraguassu
Physical Chemistry Chemical Physics 21 (8), 4200-4208, 2019
52019
STM Study of Ketopantolactone/(R)-1-(1-Naphthyl)ethylamine Complexes on Pt(111): Comparison of Prochiral and Enantiomeric Ratios and Examination of the …
Y Dong, K Svane, JC Lemay, MN Groves, PH McBreen
ACS Catalysis 7 (3), 1757-1765, 2017
52017
Selection of conformational states in self-assembled surface structures formed from an oligo (naphthylene–ethynylene) 3-bit binary switch
Y Ning, JR Cramer, A Nuermaimaiti, K Svane, M Yu, E Lægsgaard, ...
The Journal of chemical physics 142 (10), 101922, 2015
42015
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