Publications by authors named "Simon D Elliott"

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Finding the temperature window for atomic layer deposition of ruthenium metal efficient phonon calculations.
Alexandr Fonari, Simon D Elliott, Casey N Brock, Yan Li, Jacob Gavartin

Phys Chem Chem Phys· November 2025

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First principles mechanistic study of self-limiting oxidative adsorption of remote oxygen plasma during the atomic layer deposition of alumina.
Glen N Fomengia, Michael Nolan, Simon D Elliott

Phys Chem Chem Phys· September 2018

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Understanding the Mechanism of SiC Plasma-Enhanced Chemical Vapor Deposition (PECVD) and Developing Routes toward SiC Atomic Layer Deposition (ALD) with Density Functional Theory.
Ekaterina A Filatova, Dennis Hausmann, Simon D Elliott

ACS Appl Mater Interfaces· May 2018

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Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition.
Simon D Elliott, Gangotri Dey, Yasheng Maimaiti, Hayrensa Ablat, Ekaterina A Filatova

Adv Mater· July 2016

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Role of Surface Termination in Atomic Layer Deposition of Silicon Nitride.
Chaitanya Krishna Ande, Harm C M Knoops, Koen de Peuter, Maarten van Drunen, Simon D Elliott

J Phys Chem Lett· September 2015

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Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper.
Gangotri Dey, Jacqueline S Wrench, Dirk J Hagen, Lynette Keeney, Simon D Elliott

Dalton Trans· June 2015

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Cooperation between adsorbates accounts for the activation of atomic layer deposition reactions.
Mahdi Shirazi, Simon D Elliott

Nanoscale· April 2015

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Reductive elimination of hypersilyl halides from zinc(II) complexes. Implications for electropositive metal thin film growth.
Chatu T Sirimanne, Marissa M Kerrigan, Philip D Martin, Ravindra K Kanjolia, Simon D Elliott

Inorg Chem· January 2015

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Effect of reaction mechanism on precursor exposure time in atomic layer deposition of silicon oxide and silicon nitride.
Ciaran A Murray, Simon D Elliott, Dennis Hausmann, Jon Henri, Adrien LaVoie

ACS Appl Mater Interfaces· July 2014

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Reduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorption.
Yasheng Maimaiti, Michael Nolan, Simon D Elliott

Phys Chem Chem Phys· February 2014

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Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory.
Mahdi Shirazi, Simon D Elliott

J Comput Chem· January 2014

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Density functional theory predictions of the composition of atomic layer deposition-grown ternary oxides.
Ciaran Murray, Simon D Elliott

ACS Appl Mater Interfaces· May 2013

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Mechanism for the atomic layer deposition of copper using diethylzinc as the reducing agent: a density functional theory study using gas-phase molecules as a model.
Gangotri Dey, Simon D Elliott

J Phys Chem A· September 2012

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First principles simulation of reaction steps in the atomic layer deposition of titania: dependence of growth on Lewis acidity of titanocene precursor.
Aleksandra Zydor, Vadim G Kessler, Simon D Elliott

Phys Chem Chem Phys· June 2012

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TiCp*(OMe)3 versus Ti(OMe)4 in atomic layer deposition of TiO2 with water--ab initio modelling of atomic layer deposition surface reactions.
Aleksandra Zydor, Simon D Elliott

J Nanosci Nanotechnol· September 2011

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Understanding 'clean-up' of III-V native oxides during atomic layer deposition using bulk first principles models.
Sylwia Klejna, Simon D Elliott

J Nanosci Nanotechnol· September 2011

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Mechanism, products, and growth rate of atomic layer deposition of noble metals.
Simon D Elliott

Langmuir· June 2010

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Thermal stability of precursors for atomic layer deposition of TiO2, ZrO2, and HfO2: an ab initio study of alpha-hydrogen abstraction in bis-cyclopentadienyl dimethyl complexes.
Aleksandra Zydor, Simon D Elliott

J Phys Chem A· February 2010

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Chiral shells and achiral cores in CdS quantum dots.
Simon D Elliott, Mícheál P Moloney, Yurii K Gun'ko

Nano Lett· August 2008

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The p-type conduction mechanism in Cu2O: a first principles study.
Michael Nolan, Simon D Elliott

Phys Chem Chem Phys· December 2006

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