| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Bent, Stacey F.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (30/30 displayed)
- 2023Area-Selective Deposition by Cyclic Adsorption and Removal of 1-Nitropropane.citations
- 2022Elucidating the Reaction Mechanism of Atomic Layer Deposition of Al2O3 with a Series of Al(CH3)xCl3-x and Al(CyH2y+1)3 Precursors.citations
- 2022The Importance of Decarbonylation Mechanisms in the Atomic Layer Deposition of High-Quality Ru Films by Zero-Oxidation State Ru(DMBD)(CO)3.citations
- 2022Ionic Liquid-Mediated Route to Atomic Layer Deposition of Tin(II) Oxide via a C-C Bond Cleavage Ligand Modification Mechanism.citations
- 2021Understanding Selectivity in CO2 Hydrogenation to Methanol for MoP Nanoparticle Catalysts Using In Situ Techniquescitations
- 2021Monolayer Support Control and Precise Colloidal Nanocrystals Demonstrate Metal-Support Interactions in Heterogeneous Catalysts.citations
- 2020Substrate-Dependent Study of Chain Orientation and Order in Alkylphosphonic Acid Self-Assembled Monolayers for ALD Blocking.citations
- 2020Understanding chemical and physical mechanisms in atomic layer deposition.citations
- 2019A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements.citations
- 2019A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurementscitations
- 2019Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols.citations
- 2019Synthesis of doped, ternary, and quaternary materials by atomic layer deposition: a reviewcitations
- 2018Area-selective atomic layer deposition of metal oxides on noble metals through catalytic oxygen activationcitations
- 2018Molecular Layer Deposition of a Highly Stable Silicon Oxycarbide Thin Film Using an Organic Chlorosilane and Watercitations
- 2017Rh-MnO Interface Sites Formed by Atomic Layer Deposition Promote Syngas Conversion to Higher Oxygenatescitations
- 2016Selective Deposition of Dielectrics: Limits and Advantages of Alkanethiol Blocking Agents on Metal-Dielectric Patterns.
- 2016Strong coupling of plasmon and nanocavity modes for dual-band, near-perfect absorbers and ultrathin photovoltaicscitations
- 2016Selective Deposition of Dielectrics: Limits and Advantages of Alkanethiol Blocking Agents on Metal-Dielectric Patternscitations
- 2016A Process for Topographically Selective Deposition on 3D Nanostructures by Ion Implantationcitations
- 2016Growth, intermixing, and surface phase formation for zinc tin oxide nanolaminates produced by atomic layer depositioncitations
- 2015Quantifying Geometric Strain at the PbS QD-TiO2 Anode Interface and Its Effect on Electronic Structurescitations
- 2014An atomic layer deposition chamber for in situ x-ray diffraction and scattering analysiscitations
- 2014Nanoscale limitations in metal oxide electrocatalysts for oxygen evolutioncitations
- 2013Self-assembly based plasmonic arrays tuned by atomic layer deposition for extreme visible light absorption.citations
- 2013Area Selective Molecular Layer Deposition of Polyurea Filmscitations
- 2012The importance of dye chemistry and TiCl4 surface treatment in the behavior of Al2O3 recombination barrier layers deposited by atomic layer deposition in solid-state dye-sensitized solar cellscitations
- 2011Electron Enrichment in 3d Transition Metal Oxide Hetero-Nanostructurescitations
- 2010ALD Growth Characteristics of ZnS Films Deposited from Organozinc and Hydrogen Sulfide Precursorscitations
- 2010Formation of Organic Nanoscale Laminates and Blends by Molecular Layer Depositioncitations
- 2004A density functional theory study on the effect of Ge alloying on hydrogen desorption from SiGe alloy surfacescitations
Places of action
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article
A density functional theory study on the effect of Ge alloying on hydrogen desorption from SiGe alloy surfaces
Abstract
We have used density functional theory to investigate hydrogen desorption from SiGe alloy surfaces, and the effect of Ge alloying on the kinetics of hydrogen desorption via the prepairing and interdimer mechanisms. We find that the calculated activation barriers of the prepairing mechanism are affected by the surface atom bonded to the desorbing hydrogen atoms. On the other hand, our calculations show that the activation barrier for hydrogen desorption via the 2H interdimer mechanism is affected by all four surface atoms of the two neighboring dimers. For the 4H interdimer mechanism, we have shown that the activation barrier for hydrogen desorption is not significantly higher than the endothermicity of hydrogen desorption. We also find that the calculated activation barriers of the interdimer mechanisms are generally lower than those of the prepairing mechanism. In addition, our calculations show that surface Ge atoms on neighboring dimers on SiGe alloy surfaces have a minor effect on the calculated activation barriers of both the prepairing and interdimer mechanisms, which indicates that the effect of Ge alloying on hydrogen desorption is local in nature. We also discuss the effects of cluster size and constraints on the calculated reaction energies and activation barriers of hydrogen desorption via the two mechanisms.