Search Results - "Elliott, Simon"

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

“…To describe the atomic layer deposition (ALD) reactions of HfO2 from Hf(N(CH3)2)4 and H2O, a three‐dimensional on‐lattice kinetic Monte‐Carlo model is…”
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Modeling the Chemical Mechanism of the Thermal Atomic Layer Etch of Aluminum Oxide: A Density Functional Theory Study of Reactions during HF Exposure by Kondati Natarajan, Suresh, Elliott, Simon D

“…Thermal atomic layer etch, the reverse of atomic layer deposition, uses a cyclic sequence of plasma-free and solvent-free gas surface reactions to remove…”
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Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism by Mullins, Rita, Kondati Natarajan, Suresh, Elliott, Simon D, Nolan, Michael

“…HfO2 and ZrO2 are two high-k materials that are important in the downscaling of semiconductor devices. Atomic-level control of material processing is required…”
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Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition by Elliott, Simon D., Dey, Gangotri, Maimaiti, Yasheng, Ablat, Hayrensa, Filatova, Ekaterina A., Fomengia, Glen N.

“…Recent progress in the simulation of the chemistry of atomic layer deposition (ALD) is presented for technologically important materials such as alumina,…”
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Mechanism, Products, and Growth Rate of Atomic Layer Deposition of Noble Metals by Elliott, Simon D

“…We present mechanisms for atomic layer deposition of Ru, Rh, Pd, Os, Ir, or Pt metal from homoleptic precursors and oxygen. The novel mechanistic feature is…”
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Kinetics and Coverage Dependent Reaction Mechanisms of the Copper Atomic Layer Deposition from Copper Dimethylamino-2-propoxide and Diethylzinc by Maimaiti, Yasheng, Elliott, Simon D

“…Atomic layer deposition (ALD) has been recognized as a promising method to deposit conformal and uniform thin film of copper for future electronic devices…”
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Suppressing the Thermal and Ultraviolet Sensitivity of Kevlar by Infiltration and Hybridization with ZnO by Azpitarte, Itxasne, Zuzuarregui, Ana, Ablat, Hayrensa, Ruiz-Rubio, Leire, López-Ortega, Alberto, Elliott, Simon D, Knez, Mato

“…Polyaramides, such as Kevlar, are of great technological importance for their extraordinary mechanical performance. As fibers, they are used in personal…”
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Kinetic Monte Carlo Study of the Atomic Layer Deposition of Zinc Oxide by Weckman, Timo, Shirazi, Mahdi, Elliott, Simon D, Laasonen, Kari

“…Atomic layer deposition (ALD) has emerged as an important technique for thin-film deposition in the last two decades. Zinc oxide thin films, usually grown via…”
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Multiple Proton Diffusion and Film Densification in Atomic Layer Deposition Modeled by Density Functional Theory by Shirazi, Mahdi, Elliott, Simon D

“…To investigate the atomic layer deposition (ALD) reactions for growth of HfO2 from Hf(NMe2)4 (TDMAHf) and H2O, a density functional theory (DFT) slab model was…”
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First-Principles Modeling of the “Clean-Up” of Native Oxides during Atomic Layer Deposition onto III–V Substrates by Klejna, Sylwia, Elliott, Simon D

“…The use of III–V materials as the channel in future transistor devices is dependent on removing the deleterious native oxides from their surface before…”
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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 by Filatova, Ekaterina A, Hausmann, Dennis, Elliott, Simon D

“…Understanding the mechanism of SiC chemical vapor deposition (CVD) is an important step in investigating the routes toward future atomic layer deposition (ALD)…”
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The first reported fatality associated with the synthetic opioid 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide (U-47700) and implications for forensic analysis by Elliott, Simon P., Brandt, Simon D., Smith, Christopher

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Prodrugs of New Psychoactive Substances (NPS): A New Challenge by Elliott, Simon P., Holdbrook, Tanith, Brandt, Simon D.

“…The concept of a substance acting as a prodrug for an intended drug is not new and has been known and utilized with particular benefits within medicine for…”
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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 by Werbrouck, Andreas, Shirazi, Mahdi, Mattelaer, Felix, Elliott, Simon D, Dendooven, Jolien, Detavernier, Christophe

“…A method to obtain full mass over charge (m/z), time-resolved quadruple mass spectrometry (QMS) spectra of an atomic layer deposition (ALD) cycle is proposed…”
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Precursor Adsorption on Copper Surfaces as the First Step during the Deposition of Copper: A Density Functional Study with van der Waals Correction by Maimaiti, Yasheng, Elliott, Simon D

“…Copper dimethylamino-2-propoxide [Cu­(dmap)2] is used as a precursor for low-temperature atomic layer deposition (ALD) of copper thin films. Chemisorption of…”
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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 by Sharma, Varun, Elliott, Simon D, Blomberg, Tom, Haukka, Suvi, Givens, Michael E, Tuominen, Marko, Ritala, Mikko

“…Thermal atomic layer etching (ALEt) of amorphous Al2O3 was performed by alternate exposures of niobium pentafluoride (NbF5) and carbon tetrachloride (CCl4)…”
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A Series of Deaths Involving Carfentanil in the UK and Associated Post-mortem Blood Concentrations by Elliott, Simon P, Hernandez Lopez, Elena

“…The potent opioid and veterinary drug, carfentanil has recently entered the illicit drug market, especially in relation to heroin and cocaine. Recent…”
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Further evidence for GHB naturally occurring in common non-alcoholic beverages by Elliott, Simon P, Fais, Paolo

“…Highlights • GHB has been implicated in cases of suspected surreptitious administration. • GHB has been implicated in cases of drug-facilitated sexual assault…”
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Assessment of Caatinga response to drought using Meteosat-SEVIRI Normalized Difference Vegetation Index (2008–2016) by Barbosa, Humberto Alves, Lakshmi Kumar, T.V., Paredes, Franklin, Elliott, Simon, Ayuga, J.G.

“…•The linear dependence of NDVI on rainfall is phase lagged in the Caatinga vegetation.•The NDVI-rainfall relationship at interannual timescale represents…”
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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 by Dey, Gangotri, Elliott, Simon D

“…We present theoretical studies based on first-principles density functional theory calculations for the possible gas-phase mechanism of the atomic layer…”
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