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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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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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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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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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Resolving all atoms of an alkali halide via nanomodulation of the thin NaCl film surface using the Au(111) reconstruction

Physical review. B, Condensed matter and materials physics, 2012-06, Vol.85 (24), Article 245440

2012

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Assessing the film-substrate interaction in germania films on reconstructed Au(111)

Physical review. B, 2019-12, Vol.100 (24), p.1, Article 241403

2019

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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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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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Tuning the surface metal work function by deposition of ultrathin oxide films: Density functional calculations

Physical review. B, Condensed matter and materials physics, 2006-01, Vol.73 (4), Article 045414

2006

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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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Bonding of Pd, Ag, and Au atoms on MgO(100) surfaces and MgO/Mo(100) ultra-thin films : A comparative DFT study

Physical review. B, Condensed matter and materials physics, 2005-09, Vol.72 (11), p.115403.1-115403.11

2005

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Adsorption of metal adatoms on FeO(111) and MgO(111) monolayers: Effects of charge state of adsorbate on rumpling of supported oxide film

Physical review. B, Condensed matter and materials physics, 2009-09, Vol.80 (12), Article 125403

2009

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Modeling disorder in amorphous silica with embedded clusters: The peroxy bridge defect center

Physical review. B, Condensed matter, 2001-12, Vol.64 (22), Article 224104

2001

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Optical and EPR properties of point defects at a crystalline silica surface: Ab initio embedded-cluster calculations

Physical review. B, Condensed matter and materials physics, 2007-01, Vol.75 (2), Article 024109

2007

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Origin of the different photoactivity of N-doped anatase and rutile TiO2

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (8), p.085116.1-085116.4

2004

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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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Properties of MgO(100) ultrathin layers on Pd(100): Influence of the metal support

Physical review. B, Condensed matter, 2003-01, Vol.67 (4), Article 045410

2003

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Phosphorous–oxygen hole centers in phosphosilicate glass films

Physical review. B, Condensed matter and materials physics, 2006-10, Vol.74 (13), Article 134102

2006

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Theoretical description of hole localization in a quartz Al center: The importance of exact electron exchange

Physical review. B, Condensed matter, 2001-02, Vol.63 (5), Article 054102

2001

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Paramagnetic centers in Ge-doped silica: A first-principles study

Physical review. B, Condensed matter, 2000-09, Vol.62 (9), p.5452-5460

2000

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Zero-bias conductance anomaly of a FeO-bound Au atom triggered by CO adsorption

Physical review. B, Condensed matter and materials physics, 2009-02, Vol.79 (7), Article 075427

2009

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Surface reactivity of MgO oxygen vacancies

Catalysis today, 1999-05, Vol.50 (3), p.533-540

1999

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Comparative ab initio study of the structure and stability of H − and Li − anions in silica networks

Physical review. B, Condensed matter and materials physics, 2004-01, Vol.69 (2), Article 024101

2004

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On the origin of the 5.0 and 7.6 eV absorption bands in oxygen deficient α-quartz and amorphous silica. A first principles quantum-chemical study

Journal of non-crystalline solids, 1997-08, Vol.216, p.1-9

1997

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Interaction of H 2 with strained rings at the silica surface from ab initio calculations

Journal of non-crystalline solids, 2000-06, Vol.271 (1), p.56-63

2000

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

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

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

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

Resolving all atoms of an alkali halide via nanomodulation of the thin NaCl film surface using the Au(111) reconstruction

Assessing the film-substrate interaction in germania films on reconstructed Au(111)

Theory of Carbon Doping of Titanium Dioxide

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

Tuning the surface metal work function by deposition of ultrathin oxide films: Density functional calculations

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

Bonding of Pd, Ag, and Au atoms on MgO(100) surfaces and MgO/Mo(100) ultra-thin films : A comparative DFT study

Adsorption of metal adatoms on FeO(111) and MgO(111) monolayers: Effects of charge state of adsorbate on rumpling of supported oxide film

Modeling disorder in amorphous silica with embedded clusters: The peroxy bridge defect center

Optical and EPR properties of point defects at a crystalline silica surface: Ab initio embedded-cluster calculations

Origin of the different photoactivity of N-doped anatase and rutile TiO2

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

Properties of MgO(100) ultrathin layers on Pd(100): Influence of the metal support

Phosphorous–oxygen hole centers in phosphosilicate glass films

Theoretical description of hole localization in a quartz Al center: The importance of exact electron exchange

Paramagnetic centers in Ge-doped silica: A first-principles study

Zero-bias conductance anomaly of a FeO-bound Au atom triggered by CO adsorption

Surface reactivity of MgO oxygen vacancies

Comparative ab initio study of the structure and stability of H − and Li − anions in silica networks

On the origin of the 5.0 and 7.6 eV absorption bands in oxygen deficient α-quartz and amorphous silica. A first principles quantum-chemical study

Interaction of H 2 with strained rings at the silica surface from ab initio calculations

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