S. D. Elliott

发表

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

S. D. Elliott, G. Dey, Y. Maimaiti, 2016, Advanced materials.

Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism

M. Nolan, S. Natarajan, S. D. Elliott, 2020 .

Quantum chemistry: Large molecules — small computers

R. Ahlrichs, U. Huniar, S. D. Elliott, 1998 .

Prediction and Validation of the Process Window for Atomic Layer Etching: HF Exposure on TiO2

S. George, Suresh Kondati Natarajan, S. D. Elliott, 2021, The Journal of Physical Chemistry C.

Kinetic Monte Carlo Study of the Atomic Layer Deposition of Zinc Oxide

K. Laasonen, S. D. Elliott, Timo Weckman, 2018, The Journal of Physical Chemistry C.

Reversible and Irreversible Reactions of Trimethylaluminum with Common Organic Functional Groups as a Model for Molecular Layer Deposition and Vapor Phase Infiltration

M. Knez, Fan Yang, C. Rogero, 2017 .

Quantifying the Extent of Ligand Incorporation and the Effect on Properties of TiO2 Thin Films Grown by Atomic Layer Deposition Using an Alkoxide or an Alkylamide

J. Kools, Lionel Santinacci, D. Grosso, 2020, Chemistry of Materials.

Progress in nanoscale dry processes for fabrication of high-aspect-ratio features: How can we control critical dimension uniformity at the bottom?

D. Mocuta, K. Kinoshita, T. Ishijima, 2018 .

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

S. D. Elliott, H. Pinto, Henry P. Pinto, 2006, Journal of physics. Condensed matter : an Institute of Physics journal.

A Secondary Reaction Pathway for the Alumina Atomic Layer Deposition Process with Trimethylaluminum and Water, Revealed by Full-Range, Time-Resolved In Situ Mass Spectrometry

C. Detavernier, F. Mattelaer, J. Dendooven, 2020, The Journal of Physical Chemistry C.

The role of local chemical hardness and van der Waals interactions in the anionic polymerization of alkyl cyanoacrylates

I. Povey, S. D. Elliott, Hayrensa Ablat, 2016 .

Assignment of the (12) surface of rutile TiO2(110) from first principles

S. Bates, S. D. Elliott, S. Elliott, 2003 .

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

M. Nolan, S. D. Elliott, S. Elliott, 2006, Physical chemistry chemical physics : PCCP.

Structural and energetic origin of defects at the interface between germanium and a high-k dielectric from first principles

J. Greer, S. D. Elliott, 2011 .

Deposition of ZrO2 and HfO2 thin films by liquid injection MOCVD and ALD using ansa-metallocene zirconium and hafnium precursors

J. Bacsa, K. Black, P. Chalker, 2008 .

Clusters of Aluminum, a Density Functional Study.

R. Ahlrichs, S. D. Elliott, 1999 .

Mechanism of the HF Pulse in the Thermal Atomic Layer Etch of HfO2 and ZrO2: A First Principles Study

M. Nolan, S. Natarajan, S. D. Elliott, 2019 .

Optical and microstructural properties of p-type SrCu2O2: First principles modeling and experimental studies

B. Servet, O. Durand, M. Nolan, 2007 .

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

M. Nolan, S. D. Elliott, Glen N. Fomengia, 2018, Physical chemistry chemical physics : PCCP.

An ab initio study of the monoxides and dioxides of sodium

R. Ahlrichs, S. D. Elliott, 1998 .

Tuning the electronic structure of the transparent conducting oxide Cu2O

M. Nolan, S. D. Elliott, 2008 .

Electronic shell structure in monoxides and dioxides of sodium

R. Ahlrichs, S. D. Elliott, 2000 .

Quantum Chemical Study of the Effect of Precursor Stereochemistry on Dissociative Chemisorption and Surface Redox Reactions During the Atomic Layer Deposition of the Transition Metal Copper

S. D. Elliott, G. Dey, S. Elliott, 2015 .

Copper(I) carbene hydride complexes acting both as reducing agent and precursor for Cu ALD: a study through density functional theory

S. D. Elliott, G. Dey, S. Elliott, 2013, Theoretical Chemistry Accounts.

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.

S. D. Elliott, G. Dey, S. Elliott, 2012, The journal of physical chemistry. A.

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

V. Kessler, S. D. Elliott, A. Zydor, 2012, Physical chemistry chemical physics : PCCP.

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

J. S. Wrench, S. D. Elliott, G. Dey, 2015, Dalton transactions.

Deposition of Copper by Plasma-Enhanced Atomic Layer Deposition Using a Novel N-Heterocyclic Carbene Precursor

M. Ritala, M. Leskelä, M. Kemell, 2013 .

Chiral shells and achiral cores in CdS quantum dots.

Y. Gun’ko, S. D. Elliott, Simon D Elliott, 2008, Nano letters.

Theoretical study of structural and optical properties of F-centers in tetragonal BaTiO3

Arvids Stashans, Henry P. Pinto, Simon D. Elliott, 2003, Saratov Fall Meeting.

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

M. Perego, S. Spiga, C. Wiemer, 2012 .

First-principles study of oxygen and aluminum defects in β-Si3N4: Compensation and charge trapping

R. Degraeve, A. Arreghini, M. Czernohorsky, 2014 .

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

M. Nolan, S. D. Elliott, Y. Maimaiti, 2014, Physical chemistry chemical physics : PCCP.

Atomic scale model interfaces between high-k hafnium silicates and silicon

S. Monaghan, J. Greer, S. D. Elliott, 2007 .

Precursor Adsorption on Copper Surfaces as the First Step during the Deposition of Copper: A Density Functional Study with van der Waals Correction

S. D. Elliott, Y. Maimaiti, S. Elliott, 2015 .

Thermal Atomic Layer Etching of Aluminum Oxide (Al2O3) Using Sequential Exposures of Niobium Pentafluoride (NbF5) and Carbon Tetrachloride (CCl4): A Combined Experimental and Density Functional Theory Study of the Etch Mechanism

M. Ritala, M. Givens, M. Tuominen, 2021, Chemistry of Materials.

Improving ALD growth rate via ligand basicity: Quantum chemical calculations on lanthanum precursors

S. D. Elliott, S. Elliott, 2007 .

Spontaneous etching of B2O3 by HF gas studied using infrared spectroscopy, mass spectrometry, and density functional theory

S. George, Suresh Kondati Natarajan, S. D. Elliott, 2022, Journal of Vacuum Science & Technology A.

Studying chemical vapor deposition processes with theoretical chemistry

S. D. Elliott, H. Pedersen, S. Elliott, 2014, Theoretical Chemistry Accounts.

Chapter 9 – Simulating the structure and reactivity of oxide surfaces from first principles

S. Bates, S. D. Elliott, S. Elliott, 2004 .

First-Principles Investigation of C-H Bond Scission and Formation Reactions in Ethane, Ethene, and Ethyne Adsorbed on Ru(0001).

W. Kessels, S. D. Elliott, C. Ande, 2014 .

Suppressing the Thermal and Ultraviolet Sensitivity of Kevlar by Infiltration and Hybridization with ZnO

M. Knez, L. Ruiz‐Rubio, A. Zuzuarregui, 2017 .

Atomic-scale simulation of ALD chemistry

S. D. Elliott, S. Elliott, 2012 .

Non-stoichiometric oxide and metal interfaces and reactions

P. Mulheran, M. Nolan, M. Basham, 2009 .

Electronic structure of point defects in controlled self-doping of the TiO2 (110) surface: Combined photoemission spectroscopy and density functional theory study

P. Mulheran, M. Nolan, M. Basham, 2008 .

Assigning the (1×2) surface reconstruction on reduced rutile by first-principles energetics

S. Bates, S. D. Elliott, 2002 .

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

S. D. Elliott, Simon D Elliott, 2010, Langmuir : the ACS journal of surfaces and colloids.

Tuning the Transparency of Cu 2 O with Substitutional Cation Doping

M. Nolan, S. D. Elliott, 2008 .

Clusters of aluminium, a density functional study

Simon D. Elliott, R. Ahlrichs, S. D. Elliott, 1999 .

Orientation of individual C₆₀ molecules adsorbed on Cu(111): Low-temperature scanning tunneling microscopy and density functional calculations

J. Greer, R. Allenspach, J. Larsson, 2008 .

First-Principles Modeling of the “Clean-Up” of Native Oxides during Atomic Layer Deposition onto III–V Substrates

S. D. Elliott, Sylwia Klejna, S. Elliott, 2012 .

A first principles survey of stoichiometric (1×2) reconstructions on the rutile surface

Simon D. Elliott, Simon Bates, S. Bates, 2001 .

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

S. D. Elliott, G. Dey, Y. Maimaiti, 2017, The Journal of chemical physics.

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

C. Murray, S. D. Elliott, D. Hausmann, 2014, ACS applied materials & interfaces.

Ab initio study of ?-Al2O3 surfaces

R. Nieminen, S. D. Elliott, H. Pinto, 2004 .

Modeling of Precursors for Atomic Layer Deposition of Magnesium and Calcium Oxide

S. D. Elliott, D. J. Otway, I. Kazadojev, 2013 .

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

C. Murray, S. D. Elliott, S. Elliott, 2013, ACS applied materials & interfaces.

Kinetics and Coverage Dependent Reaction Mechanisms of the Copper Atomic Layer Deposition from Copper Dimethylamino-2-propoxide and Diethylzinc

S. D. Elliott, Y. Maimaiti, S. Elliott, 2016 .

Multiple Proton Diffusion and Film Densification in Atomic Layer Deposition Modeled by Density Functional Theory

S. D. Elliott, M. Shirazi, S. Elliott, 2013 .

Modeling the Chemical Mechanism of the Thermal Atomic Layer Etch of Aluminum Oxide: A Density Functional Theory Study of Reactions during HF Exposure

Suresh Kondati Natarajan, S. D. Elliott, 2018, Chemistry of Materials.

Simulating the atomic layer deposition of alumina from first principles

James C. Greer, Simon D. Elliott, J. Greer, 2004 .

Investigating routes toward atomic layer deposition of silicon carbide: Ab initio screening of potential silicon and carbon precursors

S. D. Elliott, E. Filatova, D. Hausmann, 2017 .

Ozone-Based Atomic Layer Deposition of Alumina from TMA: Growth, Morphology, and Reaction Mechanism

Simon D. Elliott, Marco Fanciulli, G. Pavia, 2006 .

Mechanism for zirconium oxide atomic layer deposition using bis(methylcyclopentadienyl)methoxymethyl zirconium.

J. Hupp, J. Elam, M. Pellin, 2007 .

Atomic layer deposition of silicon-based dielectrics for semiconductor manufacturing: Current status and future outlook

S. Agarwal, S. D. Elliott, E. Filatova, 2019 .

New rigid backbone conjugated organic polymers with large fluorescence quantum yields

Werner J. Blau, A. P. Davey, Simon D. Elliott, 1995 .

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

C. Detavernier, M. Nisula, T. Sajavaara, 2020 .

Competing Mechanisms in Atomic Layer Deposition of Er2O3 versus La2O3 from Cyclopentadienyl Precursors

M. Nolan, S. D. Elliott, S. Elliott, 2010 .

Role of Surface Termination in Atomic Layer Deposition of Silicon Nitride.

W. Kessels, Koen de Peuter, H. Knoops, 2015, The journal of physical chemistry letters.

Modelling the Deposition of High-k Dielectric Films by First Principles

S. D. Elliott, H. Pinto, S. Elliott, 2004 .

Predictive process design: a theoretical model of atomic layer deposition

S. D. Elliott, S. Elliott, 2005 .

First mixed valence cerium–organic trinuclear cluster [Ce3(OBut)10NO3] as a possible molecular switch: synthesis, structure and density functional calculations

P. Hitchcock, Y. Gun’ko, S. D. Elliott, 2002 .

Understanding the Mechanism of SiC Plasma-Enhanced Chemical Vapor Deposition (PECVD) and Developing Routes toward SiC Atomic Layer Deposition (ALD) with Density Functional Theory.

S. D. Elliott, E. Filatova, D. Hausmann, 2018, ACS applied materials & interfaces.

On the early history of atomic layer deposition: most significant works and applications

A. A. Malygin, C. Hwang, J. R. Ommen, 2016 .

On the Early History of ALD: Molecular Layering

A. A. Malygin, J. R. Ommen, T. Seidel, 2014 .

Overview of early publications on Atomic Layer Deposition

A. A. Malygin, J. R. Ommen, T. Seidel, 2014 .