(Q57783978)

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Cu, Ag, and Au atoms adsorbed on TiO2(110): cluster and periodic calculations

article published in 2001

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title

Cu, Ag, and Au atoms adsorbed on TiO2(110): cluster and periodic calculations (English)

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2

Gianfranco Pacchioni

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author name string

Livia Giordano

series ordinal

1

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Thomas Bredow

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3

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Javier Fernández Sanz

series ordinal

4

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publication date

January 2001

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published in

Surface Science

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volume

471

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issue

1-3

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page(s)

21-31

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cites work

Alkali-metal-to-substrate charge transfer in TiO2(100)c(2 x 2)K

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Photoemission and HREELS study of K adsorption on TiO2(100)

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First-principles study of potassium adsorption onTiO2surfaces

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A quantum-chemical study of Pd atoms and dimers supported on TiO2(110) and their interaction with CO

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A periodic Hartree–Fock study of Na adsorption on the TiO2(110) rutile surface

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Density-functional thermochemistry. III. The role of exact exchange

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

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A systematic study of the surface energetics and structure of TiO2(110) by first-principles calculations

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Ab initiomolecular dynamics for liquid metals

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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Efficient iterative schemes for ab initio total-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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Adsorption of Methanol on TiO2(110): A First-Principles Investigation

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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DOI

10.1016/S0039-6028(00)00879-7

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(Q57783978)

Cu, Ag, and Au atoms adsorbed on TiO2(110): cluster and periodic calculations

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