First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption: Fid-Bau Portal

Fachinformationsdienst BAUdigital

A platform for research: civil engineering, architecture and urbanism

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

Access

Check availability in my library

Order at Subito €

Page navigation

Document information

Export, share and cite

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Štich, I. / Payne, M. C. / Vita, A. De / Gillan, M. J. / Clarke, L. J.

Abstract Two large-scale applications of ab initio plane-wave pseudopotential techniques to semiconductor surface physics are discussed: (1) Takayanagi reconstruction of the Si(111) surface, and (2) Dynamical simulations of molecular collisions of Cl2 with the reconstructed Si(111)−2×1 π-bonded chain surface.

Access

Check availability in my library

Order at Subito €

Page navigation

Document information

Export, share and cite

Document information

Title:

First-Principles Studies of Semiconductor Surfaces: Reconstruction and Dissociative Chemisorption

Contributors:

Štich, I. (author) / Payne, M. C. (author) / Vita, A. De (author) / Gillan, M. J. (author) / Clarke, L. J. (author)

Published in:

Computations for the Nano-Scale ; 63-74

NATO ASI Series ; 240

Publication date:

1993-01-01

Size:

12 pages

ISBN:

978-94-011-1956-6 , 978-94-010-4864-4

ISSN:

DOI:

https://doi.org/10.1007/978-94-011-1956-6_6

Type of media:

Article/Chapter (Book)

Type of material:

Electronic Resource

Language:

English

Keywords:

Semiconductor Surface , Molecular Collision , Dissociative Chemisorption , Surface Unit Cell , Chain Surface Physics , Condensed Matter Physics , Surfaces and Interfaces, Thin Films , Theoretical, Mathematical and Computational Physics , Physical Chemistry

Similar titles

Chemisorption on Semiconductor Surfaces

Dr. Lannoo, Michel / Dr. Friedel, Paul | Springer Verlag | 1991

Dissociative chemisorption of methane on clean and oxygen precovered Pt(111)

Valden, M. / Xiang, N. / Pere, J. et al. | British Library Online Contents | 1996

First-principles electronic functionalization of silicene and germanene by adatom chemisorption

van den Broek, B. / Houssa, M. / Scalise, E. et al. | British Library Online Contents | 2014

Chemisorption Geometry of Molybdenum on Silicon Surfaces

Shaoping, Tang / Kaiming, Zhang / Xide, Xie | Springer Verlag | 1988

First-Principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge

Inagaki, K. / Pho, B.V. / Yamauchi, K. et al. | British Library Online Contents | 2012