Simon D. Elliott

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	All	Since 2016
Citations	4099	1802
h-index	34	23
i10-index	74	51

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Co-authors

Michael NolanTyndall National Institute, University College Cork, IrelandVerified email at tyndall.ie
Gangotri DeyRutgers UniversityVerified email at chem.rutgers.edu
Henry P. PintoDepartment of Physics, School of Physical Sciences and Nanotechnology, Yachay Tech, EcuadorVerified email at yachaytech.edu.ec
James C. GreerLi Dak Sum Chair in Electronic Materials & Devices, University of Nottingham, Ningbo, China campusVerified email at nottingham.edu.cn
Yasheng MaimaitiStanford University | University College CorkVerified email at stanford.edu
Claudia WiemerEPFL, Stanford University, INFM, MDM, CNRVerified email at mdm.imm.cnr.it
Simon BatesAssociate Provost, Teaching and Learning, UBCVerified email at ubc.ca
Ekaterina A. FilatovaTyndall National InstitutionVerified email at tyndall.ie
Hayrensa Ablat (Abulaiti Hairisha)Stanford UniversityVerified email at stanford.edu
Sylwia KlejnaVerified email at agh.edu.pl
Risto NieminenAalto UniversityVerified email at aalto.fi
Yurii Gun'koTrinity College DublinVerified email at tcd.ie
Ciaran A MurrayPostdoctoral researccher, Tyndall National Institute, UCCVerified email at tyndall.ie
Mark BashamRosalind Franklin Institute, Diamond Light SourceVerified email at rfi.ac.uk
Roger BennettReader in Nanostructured Surfaces, University of ReadingVerified email at reading.ac.uk
Markku LeskelaProfessor of Inorganic Chemistry, University of HelsinkiVerified email at helsinki.fi
Chaitanya Krishna AndeASML, The NetherlandsVerified email at asml.com
J. Andreas LarssonProfessor of Applied Physics, Materials Science, Engineering Sciences and Mathematics, LuleåVerified email at ltu.se
Werner BlauProfessor of Physics of Advanced Materials, Trinity College DublinVerified email at tcd.ie
Olivier DURANDINSA de RennesVerified email at insa-rennes.fr

Simon D. Elliott

Schrödinger

Verified email at schrodinger.com - Homepage

computational materials science atomic layer deposition quantum chemistry


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The p-type conduction mechanism in Cu 2 O: a first principles study M Nolan, SD Elliott Physical Chemistry Chemical Physics 8 (45), 5350-5358, 2006	265	2006
Ab initio study of surfaces HP Pinto, RM Nieminen, SD Elliott Physical review B 70 (12), 125402, 2004	208	2004
Clusters of aluminium, a density functional study R Ahlrichs, SD Elliott Physical Chemistry Chemical Physics 1 (1), 13-21, 1999	205	1999
TURBOMOLE, version 5.6 R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, M Ehrig, ... Theoretical Chemistry Group, University of Karlsruhe, 2002	198	2002
TurboMole-Program System for ab initio Electronic Structure Calculations, Version 5.2 R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, M Ehrig, ... Universität Karlsruhe, Karlsruhe, Germany 936, 2000	192*	2000
Ozone-based atomic layer deposition of alumina from TMA: Growth, morphology, and reaction mechanism SD Elliott, G Scarel, C Wiemer, M Fanciulli, G Pavia Chemistry of materials 18 (16), 3764-3773, 2006	182	2006
Chiral shells and achiral cores in CdS quantum dots SD Elliott, MP Moloney, YK Gun’ko Nano Letters 8 (8), 2452-2457, 2008	170	2008
Electronic structure of point defects in controlled self-doping of the TiO 2 (110) surface: Combined photoemission spectroscopy and density functional theory study M Nolan, SD Elliott, JS Mulley, RA Bennett, M Basham, P Mulheran Physical Review B 77 (23), 235424, 2008	147	2008
Simulating the atomic layer deposition of alumina from first principles SD Elliott, JC Greer Journal of Materials Chemistry 14 (21), 3246-3250, 2004	144	2004
Reduction mechanisms of the CuO (111) surface through surface oxygen vacancy formation and hydrogen adsorption Y Maimaiti, M Nolan, SD Elliott Physical Chemistry Chemical Physics 16 (7), 3036-3046, 2014	109	2014
Atomic-scale simulation of ALD chemistry SD Elliott Semiconductor Science and Technology 27 (7), 074008, 2012	106	2012
Orientation of individual molecules adsorbed on Cu(111): Low-temperature scanning tunneling microscopy and density functional calculations JA Larsson, SD Elliott, JC Greer, J Repp, G Meyer, R Allenspach Physical Review B 77 (11), 115434, 2008	94	2008
New rigid backbone conjugated organic polymers with large fluorescence quantum yields AP Davey, S Elliott, O O'Connor, W Blau Journal of the Chemical Society, Chemical Communications, 1433-1434, 1995	80	1995
Tuning the Transparency of Cu₂O with Substitutional Cation Doping M Nolan, SD Elliott Chemistry of Materials 20 (17), 5522-5531, 2008	71	2008
Mechanism of the Verwey transition in magnetite: Jahn–Teller distortion and charge ordering patterns HP Pinto, SD Elliott Journal of Physics: Condensed Matter 18 (46), 10427, 2006	67	2006
Mechanism of the Verwey transition in magnetite: Jahn–Teller distortion and charge ordering patterns HP Pinto, SD Elliott Journal of Physics: Condensed Matter 18 (46), 10427, 2006	67	2006
Mechanism, products, and growth rate of atomic layer deposition of noble metals SD Elliott Langmuir 26 (12), 9179-9182, 2010	66	2010
Effect of reaction mechanism on precursor exposure time in atomic layer deposition of silicon oxide and silicon nitride CA Murray, SD Elliott, D Hausmann, J Henri, A LaVoie ACS applied materials & interfaces 6 (13), 10534-10541, 2014	65	2014
Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory M Shirazi, SD Elliott Journal of computational chemistry 35 (3), 244-259, 2014	58	2014
First-principles modeling of the “clean-up” of native oxides during atomic layer deposition onto III–V substrates S Klejna, SD Elliott The Journal of Physical Chemistry C 116 (1), 643-654, 2012	55	2012

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