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Physical Chemistry Chemical Physics : PCCP|October 9, 2009
The p-type conduction mechanism in Cu2O: a first principles studyMichael Nolan, Simon D ElliottPhysical Chemistry Chemical Physics : PCCP|January 8, 2014
Reduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorptionYasheng Maimaiti, Michael Nolan, Simon D ElliottPhysical Chemistry Chemical Physics : PCCP|August 25, 2018
First principles mechanistic study of self-limiting oxidative adsorption of remote oxygen plasma during the atomic layer deposition of aluminaGlen N Fomengia, Michael Nolan, Simon D ElliottLangmuir : the ACS Journal of Surfaces and Colloids|May 18, 2010
Mechanism, products, and growth rate of atomic layer deposition of noble metalsSimon D ElliottThe Journal of Physical Chemistry. A|January 9, 2010
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 complexesAleksandra Zydor, Simon D ElliottJournal of Computational Chemistry|November 20, 2013
Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theoryMahdi Shirazi, Simon D ElliottJournal of Nanoscience and Nanotechnology|November 22, 2011
Understanding 'clean-up' of III-V native oxides during atomic layer deposition using bulk first principles modelsSylwia Klejna, Simon D ElliottACS Applied Materials & Interfaces|April 3, 2013
Density functional theory predictions of the composition of atomic layer deposition-grown ternary oxidesCiaran Murray, Simon D ElliottJournal of Nanoscience and Nanotechnology|November 22, 2011
TiCp*(OMe)3 versus Ti(OMe)4 in atomic layer deposition of TiO2 with water--ab initio modelling of atomic layer deposition surface reactionsAleksandra Zydor, Simon D ElliottNanoscale|March 19, 2015
Cooperation between adsorbates accounts for the activation of atomic layer deposition reactionsMahdi Shirazi, Simon D ElliottPageof 14