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Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study
Author(s):
P. Raybaud
,
J. Hafner
,
G. Kresse
,
S. Kasztelan
,
H. Toulhoat
Publication date
Created:
February 2000
Publication date
(Print):
February 2000
Journal:
Journal of Catalysis
Publisher:
Elsevier BV
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Functional role of amyloid
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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
G Kresse
,
J. Furthmüller
(1996)
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
David Vanderbilt
(1990)
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Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids
E. G. Moroni
,
G Kresse
,
J Hafner
…
(1997)
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Author and article information
Journal
Title:
Journal of Catalysis
Abbreviated Title:
Journal of Catalysis
Publisher:
Elsevier BV
ISSN (Print):
00219517
Publication date Created:
February 2000
Publication date (Print):
February 2000
Volume
: 190
Issue
: 1
Pages
: 128-143
Article
DOI:
10.1006/jcat.1999.2743
SO-VID:
b2ce3dff-8833-41ed-812f-85ea8aefca7e
Copyright ©
© 2000
License:
http://www.elsevier.com/tdm/userlicense/1.0/
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