List of works - Simon D. Elliott

Atomic Layer Deposition of Localized Boron- and Hydrogen-Doped Aluminum Oxide Using Trimethyl Borate as a Dopant Precursor

scientific article

Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory.

scientific article

Chiral shells and achiral cores in CdS quantum dots

scientific article published on 9 July 2008

Classification of processes for the atomic layer deposition of metals based on mechanistic information from density functional theory calculations.

scientific article

Cooperation between adsorbates accounts for the activation of atomic layer deposition reactions.

scientific article

Density functional theory predictions of the composition of atomic layer deposition-grown ternary oxides.

scientific article published on 16 April 2013

Effect of reaction mechanism on precursor exposure time in atomic layer deposition of silicon oxide and silicon nitride

scientific article published on 18 June 2014

First principles mechanistic study of self-limiting oxidative adsorption of remote oxygen plasma during the atomic layer deposition of alumina

scientific article published on 01 September 2018

First principles simulation of reaction steps in the atomic layer deposition of titania: dependence of growth on Lewis acidity of titanocene precursor

scientific article published on 01 May 2012

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

scientific article published on 22 August 2012

Mechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns

scientific article published on 03 November 2006

Mechanism, products, and growth rate of atomic layer deposition of noble metals

scientific article published on 01 June 2010

Mechanisms for Substrate-Enhanced Growth during the Early Stages of Atomic Layer Deposition of Alumina onto Silicon Nitride Surfaces

Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition

scientific article

Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

scientific article published on 01 June 2015

Reduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorption

scientific article published on 01 February 2014

Reductive elimination of hypersilyl halides from zinc(II) complexes. Implications for electropositive metal thin film growth.

scientific article

Role of Surface Termination in Atomic Layer Deposition of Silicon Nitride

scientific article published on 02 September 2015

Studying chemical vapor deposition processes with theoretical chemistry

TEMAZ/O 3 atomic layer deposition process with doubled growth rate and optimized interface properties in metal–insulator–metal capacitors

scientific article published in January 2013

The p-type conduction mechanism in Cu2O: a first principles study

scientific article published on 01 December 2006

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.

scientific article published in February 2010

TiCp*(OMe)3 versus Ti(OMe)4 in atomic layer deposition of TiO2 with water--ab initio modelling of atomic layer deposition surface reactions

scientific article published on 01 September 2011

Understanding 'clean-up' of III-V native oxides during atomic layer deposition using bulk first principles models.

scientific article published on September 2011

List of works by Simon D. Elliott

Atomic Layer Deposition of Localized Boron- and Hydrogen-Doped Aluminum Oxide Using Trimethyl Borate as a Dopant Precursor

Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory.

Chiral shells and achiral cores in CdS quantum dots

Classification of processes for the atomic layer deposition of metals based on mechanistic information from density functional theory calculations.

Cooperation between adsorbates accounts for the activation of atomic layer deposition reactions.

Density functional theory predictions of the composition of atomic layer deposition-grown ternary oxides.

Effect of reaction mechanism on precursor exposure time in atomic layer deposition of silicon oxide and silicon nitride

First principles mechanistic study of self-limiting oxidative adsorption of remote oxygen plasma during the atomic layer deposition of alumina

First principles simulation of reaction steps in the atomic layer deposition of titania: dependence of growth on Lewis acidity of titanocene precursor

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

Mechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns

Mechanism, products, and growth rate of atomic layer deposition of noble metals

Mechanisms for Substrate-Enhanced Growth during the Early Stages of Atomic Layer Deposition of Alumina onto Silicon Nitride Surfaces

Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition

Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

Reduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorption

Reductive elimination of hypersilyl halides from zinc(II) complexes. Implications for electropositive metal thin film growth.

Role of Surface Termination in Atomic Layer Deposition of Silicon Nitride

Studying chemical vapor deposition processes with theoretical chemistry

TEMAZ/O 3 atomic layer deposition process with doubled growth rate and optimized interface properties in metal–insulator–metal capacitors

The p-type conduction mechanism in Cu2O: a first principles study

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.

TiCp*(OMe)3 versus Ti(OMe)4 in atomic layer deposition of TiO2 with water--ab initio modelling of atomic layer deposition surface reactions

Understanding 'clean-up' of III-V native oxides during atomic layer deposition using bulk first principles models.