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Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study
February 2000
February 2000
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Most cited references27
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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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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)