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

(2015) Gangotri Dey et al.   DALTON TRANSACTIONS

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

(2015) Gangotri Dey et al.   Journal of Physical Chemistry C

Atomic Layer Deposition of Ruthenium on Ruthenium Surfaces: A Theoretical Study

(2015) Quan Manh Phung et al.   Journal of Physical Chemistry C

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

(2015) Yasheng Maimaiti et al.   Journal of Physical Chemistry C

Ab Initio Investigation of Surface Chemistry of Alumina ALD on Hydroxylated γ-Alumina Surface

(2015) Aditya Shankar Sandupatla et al.   Journal of Physical Chemistry C

Atomic-Level Structural and Electronic Properties of Hybrid Inorganic–Organic ZnO:Hydroquinone Superlattices Fabricated by ALD/MLD

(2015) Antti J. Karttunen et al.   Journal of Physical Chemistry C

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

(2015) Mahdi Shirazi et al.   Nanoscale

First principles study of the atomic layer deposition of alumina by TMA–H2O-process

(2015) Timo Weckman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology

(2014) Claudia Draxl et al.   ACCOUNTS OF CHEMICAL RESEARCH

Effect of Reaction Mechanism on Precursor Exposure Time in Atomic Layer Deposition of Silicon Oxide and Silicon Nitride

(2014) Ciaran A. Murray et al.   ACS Applied Materials & Interfaces

Current Understanding of Van der Waals Effects in Realistic Materials

(2014) Alexandre Tkatchenko   ADVANCED FUNCTIONAL MATERIALS

Correlating Growth Characteristics in Atomic Layer Deposition with Precursor Molecular Structure: The Case of Zinc Tin Oxide

(2014) Jukka T. Tanskanen et al.   CHEMISTRY OF MATERIALS

Effect of amino ligand size of Si precursors on initial reaction with an –OH-terminated Si(001) surface for atomic layer deposition

(2014) Ji-Su Kim et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Understanding plasma catalysis through modelling and simulation—a review

(2014) E C Neyts et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Density functional theory study on the full ALD process of silicon nitride thin film deposition via BDEAS or BTBAS and NH3

(2014) Liang Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A fresh look at an old nano-technology: catalysis

(2014) H.-J. Freund et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Copper reduction and atomic layer deposition by oxidative decomposition of formate by hydrazine

(2014) Gangotri Dey et al.   RSC Advances

Temperature-dependent reaction between trimethylaluminum and poly(methyl methacrylate) during sequential vapor infiltration: experimental and ab initio analysis

(2014) Erinn C. Dandley et al.   Journal of Materials Chemistry C

Density Functional Theory Predictions of the Composition of Atomic Layer Deposition-Grown Ternary Oxides

(2013) Ciaran Murray et al.   ACS Applied Materials & Interfaces

Growth mechanism of atomic layer deposition of zinc oxide: A density functional theory approach

(2013) Amir Afshar et al.   APPLIED PHYSICS LETTERS

Initial reaction of silicon precursors with a varying number of dimethylamino ligands on a hydroxyl-terminated silicon (001) surface

(2013) Yong-Chan Jeong et al.   APPLIED SURFACE SCIENCE

Modeling ALD Surface Reaction and Process Dynamics using Absolute Reaction Rate Theory

(2013) Curtisha D. Travis et al.   CHEMICAL VAPOR DEPOSITION

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

(2013) Mahdi Shirazi et al.   CHEMISTRY OF MATERIALS

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

(2013) Jason P. Coyle et al.   CHEMISTRY OF MATERIALS

Metal ALD and pulsed CVD: Fundamental reactions and links with solution chemistry

(2013) David J.H. Emslie et al.   COORDINATION CHEMISTRY REVIEWS

In SituStudies on Reaction Mechanisms in Atomic Layer Deposition

(2013) Kjell Knapas et al.   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

Crystallinity of inorganic films grown by atomic layer deposition: Overview and general trends

(2013) Ville Miikkulainen et al.   JOURNAL OF APPLIED PHYSICS

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

(2013) Mahdi Shirazi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Insights into the Surface Chemistry of Tin Oxide Atomic Layer Deposition from Quantum Chemical Calculations

(2013) Jukka T. Tanskanen et al.   Journal of Physical Chemistry C

In situ synchrotron based x-ray techniques as monitoring tools for atomic layer deposition

(2013) Kilian Devloo-Casier et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

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

(2013) Yasheng Maimaiti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling alumina atomic layer deposition reaction kinetics during the trimethylaluminum exposure

(2013) Curtisha D. Travis et al.   THEORETICAL CHEMISTRY ACCOUNTS

Adsorption and surface reaction of bis-diethylaminosilane as a Si precursor on an OH-terminated Si (001) surface

(2012) Seung-Bin Baek et al.   APPLIED SURFACE SCIENCE

Substrate Selectivity of (tBu-Allyl)Co(CO)3 during Thermal Atomic Layer Deposition of Cobalt

(2012) Jinhee Kwon et al.   CHEMISTRY OF MATERIALS

Synthesis of Pt–Pd Core–Shell Nanostructures by Atomic Layer Deposition: Application in Propane Oxidative Dehydrogenation to Propylene

(2012) Yu Lei et al.   CHEMISTRY OF MATERIALS

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

(2012) Gangotri Dey et al.   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

(2012) Aleksandra Zydor et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomic-scale simulation of ALD chemistry

(2012) Simon D Elliott   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Enhancement of FinFET performance using 25-nm-thin sidewall spacer grown by atomic layer deposition

(2012) Kazuhiko Endo et al.   SOLID-STATE ELECTRONICS

Low Temperature Growth of High Purity, Low Resistivity Copper Films by Atomic Layer Deposition

(2011) Thomas J. Knisley et al.   CHEMISTRY OF MATERIALS

Vapor–Liquid Coexistence Curves for Methanol and Methane Using Dispersion-Corrected Density Functional Theory

(2011) Matthew J. McGrath et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Mechanisms of SiO2 Thin-Film Growth by the Full Atomic Layer Deposition Process Using Bis(t-butylamino)silane on the Hydroxylated SiO2(001) Surface

(2011) Bo Han et al.   Journal of Physical Chemistry C

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

(2011) Sylwia Klejna et al.   Journal of Physical Chemistry C

Plasma-Assisted Atomic Layer Deposition: Basics, Opportunities, and Challenges

(2011) H. B. Profijt et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Growth and electrical properties of silicon oxide grown by atomic layer deposition using Bis(ethyl-methyl-amino)silane and ozone

(2011) Seok-Jun Won et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

(2011) Alexandre Tkatchenko et al.   MRS BULLETIN

A theoretical study on initial growth mechanism of ZrO2 film using cyclopentadienyl-type precursor

(2011) Jie Ren et al.   THIN SOLID FILMS

Gas-Phase Thermolysis of a Guanidinate Precursor of Copper Studied by Matrix Isolation, Time-of-Flight Mass Spectrometry, and Computational Chemistry

(2010) Jason P. Coyle et al.   INORGANIC CHEMISTRY

Atomic Layer Deposition and Properties of Silicon Oxide Thin Films Using Alternating Exposures to SiH2Cl2and O3

(2010) Won-Jun Lee et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Conformality of Plasma-Assisted ALD: Physical Processes and Modeling

(2010) H. C. M. Knoops et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Surface and Interface Processes during Atomic Layer Deposition of Copper on Silicon Oxide

(2010) Min Dai et al.   LANGMUIR

Mechanism, Products, and Growth Rate of Atomic Layer Deposition of Noble Metals

(2010) Simon D. Elliott   LANGMUIR

Formation of Organic Nanoscale Laminates and Blends by Molecular Layer Deposition

(2009) Paul W. Loscutoff et al.   ACS Nano

Initial growth mechanism of atomic layer deposition of ZnO on the hydroxylated Si(100)-2×1: A density functional theory study

(2009) Jie Ren   APPLIED SURFACE SCIENCE

Atomic Layer Deposition: An Overview

(2009) Steven M. George   CHEMICAL REVIEWS

Computational Method for Efficient Screening of Metal Precursors for Nanomaterial Syntheses

(2009) Yuuichi Orimoto et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

SiO2 Atomic Layer Deposition Using Tris(dimethylamino)silane and Hydrogen Peroxide Studied by in Situ Transmission FTIR Spectroscopy

(2009) B. B. Burton et al.   Journal of Physical Chemistry C

Nucleation and growth of atomic layer deposition of HfO2 gate dielectric layers on silicon oxide: a multiscale modelling investigation

(2009) A. Dkhissi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Controlled Growth of Platinum Nanoparticles on Strontium Titanate Nanocubes by Atomic Layer Deposition

(2009) Steven T. Christensen et al.   Small

Initial reaction mechanism of nitrogen-doped zinc oxide with atomic layer deposition

(2009) Lin Dong et al.   THIN SOLID FILMS

Growth studies and characterization of silicon nitride thin films deposited by alternating exposures to Si2Cl6 and NH3

(2009) Kwangchol Park et al.   THIN SOLID FILMS

The reaction pathways of the oxygen plasma pulse in the hafnium oxide atomic layer deposition process

(2008) Hyeongtag Jeon et al.   APPLIED PHYSICS LETTERS

Detection of a Formate Surface Intermediate in the Atomic Layer Deposition of High-κ Dielectrics Using Ozone

(2008) Jinhee Kwon et al.   CHEMISTRY OF MATERIALS

On the relative stability of cobalt- and nickel-based amidinate complexes against β-migration

(2008) Jiaye Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Multiscale Modeling of the Atomic Layer Deposition of HfO2Thin Film Grown on Silicon: How to Deal with a Kinetic Monte Carlo Procedure

(2008) A. Dkhissi et al.   Journal of Chemical Theory and Computation

Density functional theory and beyond—opportunities for quantum methods in materials modeling semiconductor technology

(2008) Sadasivan Shankar et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Initial surface reactions in atomic layer deposition of HfSixOy and HfO2: A comparative study by density functional theory

(2007) Jie Ren et al.   THIN SOLID FILMS