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Density Functional Theory and Electron Paramagnetic Resonance Study on the Effect of N−F Codoping of TiO2

Chemistry of materials, 2008-06, Vol.20 (11), p.3706-3714

2008

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Measuring the Charge State of Point Defects on MgO/Ag(001)

Journal of the American Chemical Society, 2009-12, Vol.131 (48), p.17544-17545

2009

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How Growing Conditions and Interfacial Oxygen Affect the Final Morphology of MgO/Ag(100) Films

Journal of physical chemistry. C, 2014-11, Vol.118 (45), p.26091-26102

2014

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The nitrogen-boron paramagnetic center in visible light sensitized N-B co-doped TiO2. Experimental and theoretical characterization

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (1), p.136-143

2011

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Spontaneous Oxidation of Ni Nanoclusters on MgO Monolayers Induced by Segregation of Interfacial Oxygen

The journal of physical chemistry letters, 2015-08, Vol.6 (15), p.3104-3109

2015

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Oxygen Vacancy: The Invisible Agent on Oxide Surfaces

Chemphyschem, 2003-10, Vol.4 (10), p.1041-1047

Pacchioni, Gianfranco

2003

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Oxygen-Induced Transformations of an FeO(111) Film on Pt(111): A Combined DFT and STM Study

Journal of physical chemistry. C, 2010-12, Vol.114 (49), p.21504-21509

2010

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Au Dimers on Thin MgO(001) Films: Flat and Charged or Upright and Neutral?

Journal of the American Chemical Society, 2008-06, Vol.130 (25), p.7814-7815

2008

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Acetylene Cyclotrimerization on Supported Size-Selected Pd n Clusters (1 ≤ n ≤ 30): One Atom Is Enough

Journal of the American Chemical Society, 2000-04, Vol.122 (14), p.3453-3457

2000

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On the origin of bonding and vibrational frequency shifts for CO adsorbed on neutral, cationic and anionic gold clusters

Journal of physics. Conference series, 2008-06, Vol.117 (1), p.012003

2008

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Theory of Carbon Doping of Titanium Dioxide

Chemistry of materials, 2005-12, Vol.17 (26), p.6656-6665

2005

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Formation of Schottky Defects at the Surface of MgO, TiO2, and SnO2: A Comparative Density Functional Theoretical Study

The journal of physical chemistry. B, 2004-08, Vol.108 (34), p.12858-12864

2004

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Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations

The journal of physical chemistry. B, 2005-06, Vol.109 (23), p.11414-11419

2005

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Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

Journal of materials chemistry, 2010-01, Vol.20 (4), p.689-697

2010

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Identification of Defect Sites on MgO(100) Thin Films by Decoration with Pd Atoms and Studying CO Adsorption Properties

Journal of the American Chemical Society, 2001-06, Vol.123 (25), p.6172-6178

2001

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Adsorption of Au and Pd Atoms on Thin SiO2 Films: the Role of Atomic Structure

Journal of physical chemistry. C, 2008-03, Vol.112 (9), p.3405-3409

2008

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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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The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)

The Journal of chemical physics, 2001-11, Vol.115 (17), p.8172-8177

2001

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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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Au Atoms and Dimers on the MgO(100) Surface: A DFT Study of Nucleation at Defects

The journal of physical chemistry. B, 2005-04, Vol.109 (16), p.8040-8048

2005

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Charging of Au Atoms on TiO2 Thin Films from CO Vibrational Spectroscopy and DFT Calculations

The journal of physical chemistry. B, 2005-10, Vol.109 (39), p.18418-18426

2005

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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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Density Functional Theory and Electron Paramagnetic Resonance Study on the Effect of N−F Codoping of TiO2

Measuring the Charge State of Point Defects on MgO/Ag(001)

How Growing Conditions and Interfacial Oxygen Affect the Final Morphology of MgO/Ag(100) Films

The nitrogen-boron paramagnetic center in visible light sensitized N-B co-doped TiO2. Experimental and theoretical characterization

Spontaneous Oxidation of Ni Nanoclusters on MgO Monolayers Induced by Segregation of Interfacial Oxygen

Oxygen Vacancy: The Invisible Agent on Oxide Surfaces

Oxygen-Induced Transformations of an FeO(111) Film on Pt(111): A Combined DFT and STM Study

Au Dimers on Thin MgO(001) Films: Flat and Charged or Upright and Neutral?

Acetylene Cyclotrimerization on Supported Size-Selected Pd n Clusters (1 ≤ n ≤ 30): One Atom Is Enough

On the origin of bonding and vibrational frequency shifts for CO adsorbed on neutral, cationic and anionic gold clusters

Theory of Carbon Doping of Titanium Dioxide

Formation of Schottky Defects at the Surface of MgO, TiO2, and SnO2: A Comparative Density Functional Theoretical Study

Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations

Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

Identification of Defect Sites on MgO(100) Thin Films by Decoration with Pd Atoms and Studying CO Adsorption Properties

Adsorption of Au and Pd Atoms on Thin SiO2 Films: the Role of Atomic Structure

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)

The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)

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

Au Atoms and Dimers on the MgO(100) Surface: A DFT Study of Nucleation at Defects

Charging of Au Atoms on TiO2 Thin Films from CO Vibrational Spectroscopy and DFT Calculations

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

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