Gilberto Teobaldi
Gilberto Teobaldi
STFC Fellow and Group Leader, Scientific Computing Department, STFC-UKRI
Verified email at - Homepage
Cited by
Cited by
Macroscopic transport by synthetic molecular machines
J Berna, DA Leigh, M Lubomska, SM Mendoza, EM Pérez, P Rudolf, ...
Nature materials 4 (9), 704-710, 2005
Electron traps and their effect on the surface chemistry of TiO2 (110)
AC Papageorgiou, NS Beglitis, CL Pang, G Teobaldi, G Cabailh, Q Chen, ...
Proceedings of the National Academy of Sciences 107 (6), 2391-2396, 2010
A generic basis for some simple light-operated mechanical molecular machines
EM Pérez, DTF Dryden, DA Leigh, G Teobaldi, F Zerbetto
Journal of the American Chemical Society 126 (39), 12210-12211, 2004
Beating the Stoner criterion using molecular interfaces
FA Ma’Mari, T Moorsom, G Teobaldi, W Deacon, T Prokscha, H Luetkens, ...
Nature 524 (7563), 69-73, 2015
Kinetics of place-exchange reactions of thiols on gold nanoparticles
M Montalti, L Prodi, N Zaccheroni, R Baxter, G Teobaldi, F Zerbetto
Langmuir 19 (12), 5172-5174, 2003
Extremely strong and readily accessible AAA− DDD triple hydrogen bond complexes
S Djurdjevic, DA Leigh, H McNab, S Parsons, G Teobaldi, F Zerbetto
Journal of the American Chemical Society 129 (3), 476-477, 2007
Cadiot–Chodkiewicz active template synthesis of rotaxanes and switchable molecular shuttles with weak intercomponent interactions
J Berná, SM Goldup, AL Lee, DA Leigh, MD Symes, G Teobaldi, ...
Angewandte Chemie International Edition 47 (23), 4392-4396, 2008
The ONETEP linear-scaling density functional theory program
JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...
The Journal of chemical physics 152 (17), 174111, 2020
Geometric Structure of
X Torrelles, G Cabailh, R Lindsay, O Bikondoa, J Roy, J Zegenhagen, ...
Physical review letters 101 (18), 185501, 2008
Chemical resolution at ionic crystal surfaces using dynamic atomic force microscopy with metallic tips
G Teobaldi, K Lämmle, T Trevethan, M Watkins, A Schwarz, ...
Physical Review Letters 106 (21), 216102, 2011
Modelling STM images of TiO2 (1 1 0) from first-principles: Defects, water adsorption and dissociation products
G Teobaldi, WA Hofer, O Bikondoa, CL Pang, G Cabailh, G Thornton
Chemical physics letters 437 (1-3), 73-78, 2007
Molecular dynamics of a dendrimer− dye guest− host system
G Teobaldi, F Zerbetto
Journal of the American Chemical Society 125 (24), 7388-7393, 2003
Spin-polarized electron transfer in interfaces
T Moorsom, M Wheeler, TM Khan, F Al Ma’Mari, C Kinane, S Langridge, ...
Physical Review B 90 (12), 125311, 2014
Modeling the adsorption of alkanes on an Au (111) surface
RJ Baxter, G Teobaldi, F Zerbetto
Langmuir 19 (18), 7335-7340, 2003
Ab-initio calculations and STM observations on tetrapyridyl and Fe (II)-tetrapyridyl-porphyrin molecules on Ag (1 1 1)
LA Zotti, G Teobaldi, WA Hofer, W Auwärter, A Weber-Bargioni, JV Barth
Surface science 601 (12), 2409-2414, 2007
Detection of catalytic intermediates at an electrode surface during carbon dioxide reduction by an earth-abundant catalyst
G Neri, JJ Walsh, G Teobaldi, PM Donaldson, AJ Cowan
Nature Catalysis 1 (12), 952-959, 2018
Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes
SL Koch, BJ Morgan, S Passerini, G Teobaldi
Journal of Power Sources 296, 150-161, 2015
The oxygen vacancy in Li-ion battery cathode materials
ZK Tang, YF Xue, G Teobaldi, LM Liu
Nanoscale horizons 5 (11), 1453-1466, 2020
The effect of van der Waals interactions on the properties of intrinsic defects in graphite
G Teobaldi, H Ohnishi, K Tanimura, AL Shluger
Carbon 48 (14), 4145-4161, 2010
Scanning Tunneling Microscopy Contrast Mechanisms for
T Woolcot, G Teobaldi, CL Pang, NS Beglitis, AJ Fisher, WA Hofer, ...
Physical Review Letters 109 (15), 156105, 2012
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