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1, 2022

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One step towards bridging the materials gap: surface studies of TiO2 anatase

Catalysis today, 2003-10, Vol.85 (2-4), p.93-100

2003

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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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Structure of the rutile TiO2(011) surface in an aqueous environment

Physical review letters, 2011-04, Vol.106 (16), p.166102-166102

2011

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The SPEAK study rationale and design: A linguistic corpus-based approach to understanding thought disorder

Schizophrenia research, 2023-09, Vol.259, p.80-87

2023

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Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations

The journal of physical chemistry. B, 2000-02, Vol.104 (6), p.1300-1306

2000

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A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters

The Journal of chemical physics, 2002-08, Vol.117 (8), p.4010-4015

2002

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Electronic Structure of Metal/Molecule//Metal Junctions: A Density Functional Theory Study of the Influence of the Molecular Terminal Group

The journal of physical chemistry. B, 2006-03, Vol.110 (8), p.3493-3498

2006

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First-principles string molecular dynamics: an efficient approach for finding chemical reaction pathways

The Journal of chemical physics, 2004-08, Vol.121 (8), p.3359-3367

2004

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Reactivity of Anatase TiO2 Nanoparticles: The Role of the Minority (001) Surface

The journal of physical chemistry. B, 2005-10, Vol.109 (42), p.19560-19562

2005

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Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study

The Journal of chemical physics, 2003-10, Vol.119 (13), p.6729-6735

2003

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Massive Codesign: A Proposal for a Collaborative Design Framework

2018

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Structure and Dynamics of Small Metallic Clusters on an Insulating Metal-Oxide Surface: Copper on MgO(100)

Physical review letters, 1999-10, Vol.83 (16), p.3242-3245

1999

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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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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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Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers

Journal of the American Chemical Society, 2005-12, Vol.127 (48), p.16835-16847

2005

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Binding sites, migration paths, and barriers for hydrogen on Si(111)-(7 x 7)

Physical review letters, 1995-12, Vol.75 (26), p.4756-4759

1995

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The adsorption of small molecules on the TiO2 anatase (101) surface by first-principles molecular dynamics

Surface science, 1998-05, Vol.402-404, p.219-222

1998

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Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

The journal of physical chemistry. B, 2006-02, Vol.110 (6), p.2804-2811

2006

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Adsorption modes of cysteine on Au(111): thiolate, amino-thiolate, disulfide

The Journal of chemical physics, 2004-03, Vol.120 (10), p.4906-4914

2004

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Initial Stages of Growth of Copper on MgO(100): A First Principles Study

Physical review letters, 1999-10, Vol.83 (14), p.2761-2764

1999

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Structure and Reactivity of Water Layers on Defect-Free and Defective Anatase TiO2(101) Surfaces

The journal of physical chemistry. B, 2004-04, Vol.108 (15), p.4743-4751

2004

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Absorption Spectrum and Solvatochromism of the [Ru(4,4‘-COOH-2,2‘-bpy)2(NCS)2] Molecular Dye by Time Dependent Density Functional Theory

Journal of the American Chemical Society, 2003-04, Vol.125 (14), p.4381-4387

2003

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Vertical and Lateral Order in Adsorbed Water Layers on Anatase TiO2(101)

Langmuir, 2004-09, Vol.20 (19), p.8379-8384

2004

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Density functional study of H2 desorption from monohydride and dihydride Si(100) surfaces

Chemical physics letters, 1995-03, Vol.235 (3-4), p.334-340

1995

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Service Design for Urban Commons

One step towards bridging the materials gap: surface studies of TiO2 anatase

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

Structure of the rutile TiO2(011) surface in an aqueous environment

The SPEAK study rationale and design: A linguistic corpus-based approach to understanding thought disorder

Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations

A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters

Electronic Structure of Metal/Molecule//Metal Junctions: A Density Functional Theory Study of the Influence of the Molecular Terminal Group

First-principles string molecular dynamics: an efficient approach for finding chemical reaction pathways

Reactivity of Anatase TiO2 Nanoparticles: The Role of the Minority (001) Surface

Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study

Massive Codesign: A Proposal for a Collaborative Design Framework

Structure and Dynamics of Small Metallic Clusters on an Insulating Metal-Oxide Surface: Copper on MgO(100)

Theory of Carbon Doping of Titanium Dioxide

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

Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers

Binding sites, migration paths, and barriers for hydrogen on Si(111)-(7 x 7)

The adsorption of small molecules on the TiO2 anatase (101) surface by first-principles molecular dynamics

Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

Adsorption modes of cysteine on Au(111): thiolate, amino-thiolate, disulfide

Initial Stages of Growth of Copper on MgO(100): A First Principles Study

Structure and Reactivity of Water Layers on Defect-Free and Defective Anatase TiO2(101) Surfaces

Absorption Spectrum and Solvatochromism of the [Ru(4,4‘-COOH-2,2‘-bpy)2(NCS)2] Molecular Dye by Time Dependent Density Functional Theory

Vertical and Lateral Order in Adsorbed Water Layers on Anatase TiO2(101)

Density functional study of H2 desorption from monohydride and dihydride Si(100) surfaces

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