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Formation of Pd dimers at regular and defect sites of the MgO(1 0 0) surface: cluster model calculations

Chemical physics, 2005-02, Vol.309 (1), p.41-47

2005

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Cluster and periodic ab-initio calculations on K/TiO2(110)

Surface science, 1998-11, Vol.418 (1), p.150-165

1998

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Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

Solid state sciences, 2000, Vol.2 (2), p.161-179

Pacchioni, Gianfranco

2000

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The nitrogen photoactive centre in N-doped titanium dioxide formed via interaction of N atoms with the solid. Nature and energy level of the species

Chemical physics letters, 2009-07, Vol.477 (1), p.135-138

2009

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Colour centres at the surface of alkali-earth oxides. A new hypothesis on the location of surface electron traps

Surface science, 1999-02, Vol.421 (3), p.246-262

1999

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Pd1/MgO(100): a model system in nanocatalysis

Surface science, 2002-08, Vol.514 (1-3), p.249-255

2002

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Metal/oxide adhesion energies from first-principles

Surface science, 2002-11, Vol.520 (1), p.3-5

Pacchioni, Gianfranco

2002

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Electronic structure of an isolated oxygen vacancy at the TiO2(110) surface

Chemical physics letters, 2002-04, Vol.355 (5-6), p.417-423

2002

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Size-effects in the acetylene cyclotrimerization on supported size-selected Pd n clusters (1≤ n≤30)

Surface science, 2000-05, Vol.454, p.984-989

2000

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Structure and vibrational spectra of crystalline SiO2 ultra-thin films on Mo(112)

Surface science, 2005-06, Vol.584 (2-3), p.225-236

2005

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Pd nanoclusters at the MgO(1 0 0) surface

Surface science, 2005-01, Vol.575 (1), p.197-209

2005

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Structure and stability of oxygen vacancies on sub-surface, terraces, and low-coordinated surface sites of MgO:: an ab initio study

Surface science, 1998-09, Vol.412, p.657-671

1998

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Oxygen vacancies and peroxo groups on regular and low-coordinated sites of MgO, CaO, SrO, and BaO surfaces

Surface science, 2006-03, Vol.600 (5), p.1147-1154

2006

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Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

Journal of electron spectroscopy and related phenomena, 1999-10, Vol.100 (1-3), p.215-236

1999

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

Surface science, 2001-01, Vol.471 (1-3), p.21-31

2001

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CO adsorption on SnO2(110) : cluster and periodic ab initio calculations

Surface science, 2000-08, Vol.461 (1-3), p.54-66

2000

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Charge transfer effects and photoemission in transition metal oxides

Chemical physics letters, 1996-03, Vol.251 (1), p.90-94

1996

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The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

Chemical physics letters, 2005-02, Vol.403 (1), p.124-128

2005

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New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations

Chemical physics letters, 2000-04, Vol.320 (3), p.345-351

2000

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Chemical shifts of the core-level binding energies for the alkaline-earth oxides

Chemical physics letters, 1992-08, Vol.196 (6), p.641-646

1992

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Adsorption of NO and NO2 on terrace and step sites and on oxygen vacancies of the CaO(100) surface

Surface science, 2004-05, Vol.556 (2-3), p.145-158

2004

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

Surface science, 1999-05, Vol.426 (1), p.106-122

1999

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CO adsorption on Rh, Pd and Ag atoms deposited on the MgO surface: a comparative ab initio study

Surface science, 2003-08, Vol.540 (1), p.63-75

2003

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Halogen ions adsorption at silver and platinum surfaces: A quantum chemical study

Electrochimica acta, 1996-01, Vol.41 (14), p.2285-2291

Pacchioni, Gianfranco

1996

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Li atoms deposited on single crystalline MgO(0 0 1) surface. A combined experimental and theoretical study

Chemical physics letters, 2008-01, Vol.450 (4), p.308-311

2008

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Formation of Pd dimers at regular and defect sites of the MgO(1 0 0) surface: cluster model calculations

Cluster and periodic ab-initio calculations on K/TiO2(110)

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

The nitrogen photoactive centre in N-doped titanium dioxide formed via interaction of N atoms with the solid. Nature and energy level of the species

Colour centres at the surface of alkali-earth oxides. A new hypothesis on the location of surface electron traps

Pd1/MgO(100): a model system in nanocatalysis

Metal/oxide adhesion energies from first-principles

Electronic structure of an isolated oxygen vacancy at the TiO2(110) surface

Size-effects in the acetylene cyclotrimerization on supported size-selected Pd n clusters (1≤ n≤30)

Structure and vibrational spectra of crystalline SiO2 ultra-thin films on Mo(112)

Pd nanoclusters at the MgO(1 0 0) surface

Structure and stability of oxygen vacancies on sub-surface, terraces, and low-coordinated surface sites of MgO:: an ab initio study

Oxygen vacancies and peroxo groups on regular and low-coordinated sites of MgO, CaO, SrO, and BaO surfaces

Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

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

CO adsorption on SnO2(110) : cluster and periodic ab initio calculations

Charge transfer effects and photoemission in transition metal oxides

The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations

Chemical shifts of the core-level binding energies for the alkaline-earth oxides

Adsorption of NO and NO2 on terrace and step sites and on oxygen vacancies of the CaO(100) surface

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

CO adsorption on Rh, Pd and Ag atoms deposited on the MgO surface: a comparative ab initio study

Halogen ions adsorption at silver and platinum surfaces: A quantum chemical study

Li atoms deposited on single crystalline MgO(0 0 1) surface. A combined experimental and theoretical study

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