Gilberto Teobaldi

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Francesco ZerbettoProfessor of Physical Chemistry, Università di Bologna, ItalyVerified email at unibo.it
Werner HoferNewcastle UniversityVerified email at ncl.ac.uk
Oscar CespedesProfessor of Condensed Matter Physics, University of LeedsVerified email at leeds.ac.uk
David A. LeighSchool of Chemistry, University of Manchester, UKVerified email at manchester.ac.uk
Geoff ThorntonLondon Centre for Nanotechnology, University College LondonVerified email at ucl.ac.uk
Gavin BurnellAssociate Professor of Condensed Matter PhysicsVerified email at leeds.ac.uk
Petra RudolfZernike Institute for Advanced Materials, University of GroningenVerified email at rug.nl
David D. O'ReganTrinity College Dublin School of Physics, SFI AMBER Centre, and CRANNVerified email at tcd.ie
Joshua D. ElliottDiamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire, UnitedVerified email at diamond.ac.uk
Emilio M. Pérez (ORCID: 0000-0002-8...IMDEA NanocienciaVerified email at imdea.org
Ivan ScivettiThe Science and Technology Facilities CouncilVerified email at stfc.ac.uk
Jose BernaUniversidad de MurciaVerified email at um.es
Greg CabailhSorbonne UniversitéVerified email at insp.jussieu.fr
Nicholas D M HineDepartment of Physics, University of WarwickVerified email at warwick.ac.uk
Chi Lun PangUniversity of LiverpoolVerified email at liverpool.ac.uk
Fatma Al Ma'MariAssociate ProfessorVerified email at squ.edu.om
Andrew FisherProfessor of Physics, University College LondonVerified email at ucl.ac.uk
Alexander ShlugerProfessor of PhysicsVerified email at ucl.ac.uk
Sandra M. MendozaProf.(Adj.) at Universidad Tecnológica Nacional - Researcher at CONICET (Argentina)Verified email at frrq.utn.edu.ar
Ziwei ChaiPostdocVerified email at fhi-berlin.mpg.de

Gilberto Teobaldi

STFC Fellow and Group Leader, Scientific Computing Department, STFC-UKRI

Verified email at stfc.ac.uk - Homepage

Materials Physics Materials Chemistry Density Functional Theory Renewable Energy Sustainable Magnetism


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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	733	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	274	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	215	2004
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	161	2003
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	156	2015
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	113	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	103	2008
Geometric Structure of X Torrelles, G Cabailh, R Lindsay, O Bikondoa, J Roy, J Zegenhagen, ... Physical review letters 101 (18), 185501, 2008	90	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	79	2020
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	67	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	66	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	65	2003
Modeling the adsorption of alkanes on an Au (111) surface RJ Baxter, G Teobaldi, F Zerbetto Langmuir 19 (18), 7335-7340, 2003	61	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	56	2007
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	55	2014
Detection of catalytic intermediates at an electrode surface during carbon dioxide reduction by an earth-abundant catalyst G Neri, J Walsh, G Teobaldi, PM Donaldson, AJ Cowan Nature Catalysis 1 (12), 952-959, 2018	52	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	51	2015
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	42	2012
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	42	2010
Modelling of the Adsorption of C₆₀ on the Au(110) Surface RJ Baxter, P Rudolf, G Teobaldi, F Zerbetto ChemPhysChem 5 (2), 245-248, 2004	39	2004

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