Simon D. Elliott

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Michael NolanTyndall National Institute, University College Cork, IrelandVerified email at tyndall.ie
Gangotri DeyCornell UniversityVerified email at cornell.edu
Henry P. PintoDepartment of Physics, School of Physical Sciences and Nanotechnology, Yachay Tech, EcuadorVerified email at yachaytech.edu.ec
Yasheng MaimaitiStanford University | University College CorkVerified email at stanford.edu
James C. GreerChair Professor in Engineering Physics, University of Nottingham, Ningbo, China campusVerified email at nottingham.edu.cn
Ekaterina A. FilatovaTyndall National InstitutionVerified email at tyndall.ie
Claudia WiemerEPFL, Stanford University, INFM, MDM, CNRVerified email at mdm.imm.cnr.it
Simon BatesVice Provost & Associate Vice President, Teaching and Learning, UBCVerified email at ubc.ca
Hayrensa Ablat (Abulaiti Hairisha)Applied MaterialsVerified email at amat.com
Sylwia KlejnaAGH University of KrakowVerified email at agh.edu.pl
Risto NieminenAalto UniversityVerified email at aalto.fi
Ciaran A MurrayPostdoctoral researccher, Tyndall National Institute, UCCVerified email at tyndall.ie
Yurii Gun'koTrinity College DublinVerified email at tcd.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
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
Henrik PedersenProfessor in Inorganic Chemistry, Linköping UniversityVerified email at liu.se
Werner BlauProfessor of Physics of Advanced Materials, Trinity College DublinVerified email at tcd.ie
Sabina SpigaCNR-IMM, Unit of Agrate BrianzaVerified email at mdm.imm.cnr.it

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	404	2006
Ab initio study of surfaces HP Pinto, RM Nieminen, SD Elliott Physical Review B—Condensed Matter and Materials Physics 70 (12), 125402, 2004	274	2004
Clusters of aluminium, a density functional study R Ahlrichs, SD Elliott Physical Chemistry Chemical Physics 1 (1), 13-21, 1999	232	1999
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	229	2006
Chiral shells and achiral cores in CdS quantum dots SD Elliott, MP Moloney, YK Gun’ko Nano Letters 8 (8), 2452-2457, 2008	223	2008
TURBOMOLE, version 5.6 R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, M Ehrig, ... Theoretical Chemistry Group, University of Karlsruhe, 2002	218	2002
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	190	2014
Electronic structure of point defects in controlled self-doping of the (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—Condensed Matter and Materials Physics 77 (23), 235424, 2008	183	2008
Simulating the atomic layer deposition of alumina from first principles SD Elliott, JC Greer Journal of Materials Chemistry 14 (21), 3246-3250, 2004	179	2004
Turbomole (vers. 5.6) R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, P Deglmann, ... Universität Karlsruhe, 2002	150*	2002
Atomic-scale simulation of ALD chemistry SD Elliott Semiconductor Science and Technology 27 (7), 074008, 2012	147	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—Condensed Matter and Materials Physics 77 (11), 115434, 2008	110	2008
Atomic layer deposition of silicon-based dielectrics for semiconductor manufacturing: Current status and future outlook RA Ovanesyan, EA Filatova, SD Elliott, DM Hausmann, DC Smith, ... Journal of Vacuum Science & Technology A 37 (6), 2019	105	2019
Studying chemical vapor deposition processes with theoretical chemistry H Pedersen, SD Elliott Theoretical Chemistry Accounts 133, 1-10, 2014	105	2014
Tuning the Transparency of Cu₂O with Substitutional Cation Doping M Nolan, SD Elliott Chemistry of Materials 20 (17), 5522-5531, 2008	96	2008
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	92	2014
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	88	2014
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	87	1995
Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition. SD Elliott, G Dey, Y Maimaiti, H Ablat, EA Filatova, GN Fomengia Advanced Materials (Deerfield Beach, Fla.) 28 (27), 5367-5380, 2015	82	2015
Progress in nanoscale dry processes for fabrication of high-aspect-ratio features: How can we control critical dimension uniformity at the bottom? K Ishikawa, K Karahashi, T Ishijima, SI Cho, S Elliott, D Hausmann, ... Japanese Journal of Applied Physics 57 (6S2), 06JA01, 2018	80	2018

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