Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions

We performed quantum dynamics calculations using available potential energy surfaces for the dissociative adsorption of H2 incident on a Si(001)2 × 2 surface. In this study, we show that the probability of adsorption for H2 and the effect of vibrationally assisted sticking (VAS) vary at different si...

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Main Authors: Arboleda, Nelson B., Jr., Kasai, Hideaki, Diño, Wilson Agerico, Nakanishi, Hiroshi
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Published: Animo Repository 2005
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spelling oai:animorepository.dlsu.edu.ph:faculty_research-23552022-05-11T03:47:01Z Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions Arboleda, Nelson B., Jr. Kasai, Hideaki Diño, Wilson Agerico Nakanishi, Hiroshi We performed quantum dynamics calculations using available potential energy surfaces for the dissociative adsorption of H2 incident on a Si(001)2 × 2 surface. In this study, we show that the probability of adsorption for H2 and the effect of vibrationally assisted sticking (VAS) vary at different sites along the Si-dimer bond. Based on the sticking probability plots for H2 as functions of its initial translational energy, we show that the H2-silicon surface interactions are all activated, with the lowest potential barrier being found in the case of H 2 coming down the Si surface with its center of mass roughly above the down Si-dimer atom. On the other hand, the VAS effect is strongest when H2, while coming down the silicon surface along the surface normal, approaches the point farthest from the up Si-dimer atom along the Si-dimer bond. Here, the potential barrier is closest to the curved region along the reaction path in the corresponding potential energy surface for this system. © 2005 The Japan Society of Applied Physics. 2005-02-01T08:00:00Z text text/html https://animorepository.dlsu.edu.ph/faculty_research/1356 https://animorepository.dlsu.edu.ph/context/faculty_research/article/2355/type/native/viewcontent Faculty Research Work Animo Repository Adsorption Curvature Quantum theory Dimers Physics
institution De La Salle University
building De La Salle University Library
continent Asia
country Philippines
Philippines
content_provider De La Salle University Library
collection DLSU Institutional Repository
topic Adsorption
Curvature
Quantum theory
Dimers
Physics
spellingShingle Adsorption
Curvature
Quantum theory
Dimers
Physics
Arboleda, Nelson B., Jr.
Kasai, Hideaki
Diño, Wilson Agerico
Nakanishi, Hiroshi
Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
description We performed quantum dynamics calculations using available potential energy surfaces for the dissociative adsorption of H2 incident on a Si(001)2 × 2 surface. In this study, we show that the probability of adsorption for H2 and the effect of vibrationally assisted sticking (VAS) vary at different sites along the Si-dimer bond. Based on the sticking probability plots for H2 as functions of its initial translational energy, we show that the H2-silicon surface interactions are all activated, with the lowest potential barrier being found in the case of H 2 coming down the Si surface with its center of mass roughly above the down Si-dimer atom. On the other hand, the VAS effect is strongest when H2, while coming down the silicon surface along the surface normal, approaches the point farthest from the up Si-dimer atom along the Si-dimer bond. Here, the potential barrier is closest to the curved region along the reaction path in the corresponding potential energy surface for this system. © 2005 The Japan Society of Applied Physics.
format text
author Arboleda, Nelson B., Jr.
Kasai, Hideaki
Diño, Wilson Agerico
Nakanishi, Hiroshi
author_facet Arboleda, Nelson B., Jr.
Kasai, Hideaki
Diño, Wilson Agerico
Nakanishi, Hiroshi
author_sort Arboleda, Nelson B., Jr.
title Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
title_short Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
title_full Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
title_fullStr Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
title_full_unstemmed Site-dependent vibrationally assisted sticking effect on H 2-Si(001)2 × 2 surface interactions
title_sort site-dependent vibrationally assisted sticking effect on h 2-si(001)2 × 2 surface interactions
publisher Animo Repository
publishDate 2005
url https://animorepository.dlsu.edu.ph/faculty_research/1356
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2355/type/native/viewcontent
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