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Efficient Method for Modeling Polarons Using Electronic Structure Methods

Journal of chemical theory and computation, 2020-08, Vol.16 (8), p.5264-5278

2020

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The nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modeling

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024708-024708

2015

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Platinum-Tin Oxide Core–Shell Catalysts for Efficient Electro-Oxidation of Ethanol

Journal of the American Chemical Society, 2014-08, Vol.136 (31), p.10862-10865

2014

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Observation of Molecular Hydrogen Produced from Bridging Hydroxyls on Anatase TiO2(101)

The journal of physical chemistry letters, 2020-11, Vol.11 (21), p.9289-9297

2020

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Highly Active Iridium/Iridium–Tin/Tin Oxide Heterogeneous Nanoparticles as Alternative Electrocatalysts for the Ethanol Oxidation Reaction

Journal of the American Chemical Society, 2011-09, Vol.133 (38), p.15172-15183

2011

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First principles analysis of surface dependent segregation in bimetallic alloys

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (42), p.23626-23637

2019

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An evaluation of solvent effects and ethanol oxidation

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (3), p.1618-16192

2021

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Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO2(110)

Chemphyschem, 2015-02, Vol.16 (2), p.313-321

2015

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Evaluating Solvent Effects at the Aqueous/Pt(111) Interface

Chemphyschem, 2017-08, Vol.18 (16), p.2171-2190

2017

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Experimental and Computational Evaluation of Heavy Metal Cation Adsorption for Molecular Design of Hydrothermal Char

Energies (Basel), 2020-08, Vol.13 (16), p.4203

2020

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Activation of CO2 by supported Cu clusters

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (42), p.28788-28807

2017

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Adsorption and diffusion of a single Pt atom on γ-Al2O3 surfaces

Surface science, 2009-09, Vol.603 (17), p.2793-2807

2009

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The structural and electronic properties of reduced amorphous titania

Physical chemistry chemical physics : PCCP, 2017-07, Vol.19 (28), p.18671-18684

2017

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A density functional theory study of formaldehyde adsorption on ceria

Surface science, 2007-11, Vol.601 (21), p.4993-5001

2007

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Distribution of Ti3+ Surface Sites in Reduced TiO2

Journal of physical chemistry. C, 2011-04, Vol.115 (15), p.7562-7572

2011

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Molecular modeling of adsorbed NDMA and water in MFI zeolites

Microporous and mesoporous materials, 2013-12, Vol.182, p.198-206

2013

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Immobilization Mechanisms of Deoxyribonucleic Acid (DNA) to Hafnium Dioxide (HfO2) Surfaces for Biosensing Applications

ACS applied materials & interfaces, 2012-10, Vol.4 (10), p.5360-5368

2012

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Enhanced Urea Oxidation Electrocatalytic Activity by Synergistic Cobalt and Nickel Mixed Oxides

The journal of physical chemistry letters, 2024-01, Vol.15 (1), p.81-89

2024

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The interactions between TiO2 and graphene with surface inhomogeneity determined using density functional theory

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (44), p.29734-29746

2015

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Ti 3p electrons: Core or valence?

Chemical physics letters, 2009-03, Vol.471 (1), p.75-79

Aaron Deskins, N.

2009

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Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)

Journal of physical chemistry. C, 2009-08, Vol.113 (33), p.14583-14586

2009

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Synergy between Defects, Photoexcited Electrons, and Supported Single Atom Catalysts for CO2 Reduction

ACS catalysis, 2018-11, Vol.8 (11), p.10464-10478

2018

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Defining the Role of Excess Electrons in the Surface Chemistry of TiO2

Journal of physical chemistry. C, 2010-04, Vol.114 (13), p.5891-5897

2010

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Influence of ∗OH adsorbates on the potentiodynamics of the CO2 generation during the electro-oxidation of ethanol

Journal of catalysis, 2017-09, Vol.353 (C), p.335-348

2017

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A Shell Model for Atomistic Simulation of Charge Transfer in Titania

Journal of physical chemistry. C, 2008-05, Vol.112 (20), p.7678-7688

2008

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Efficient Method for Modeling Polarons Using Electronic Structure Methods

The nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modeling

Platinum-Tin Oxide Core–Shell Catalysts for Efficient Electro-Oxidation of Ethanol

Observation of Molecular Hydrogen Produced from Bridging Hydroxyls on Anatase TiO2(101)

Highly Active Iridium/Iridium–Tin/Tin Oxide Heterogeneous Nanoparticles as Alternative Electrocatalysts for the Ethanol Oxidation Reaction

First principles analysis of surface dependent segregation in bimetallic alloys

An evaluation of solvent effects and ethanol oxidation

Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO2(110)

Evaluating Solvent Effects at the Aqueous/Pt(111) Interface

Experimental and Computational Evaluation of Heavy Metal Cation Adsorption for Molecular Design of Hydrothermal Char

Activation of CO2 by supported Cu clusters

Adsorption and diffusion of a single Pt atom on γ-Al2O3 surfaces

The structural and electronic properties of reduced amorphous titania

A density functional theory study of formaldehyde adsorption on ceria

Distribution of Ti3+ Surface Sites in Reduced TiO2

Molecular modeling of adsorbed NDMA and water in MFI zeolites

Immobilization Mechanisms of Deoxyribonucleic Acid (DNA) to Hafnium Dioxide (HfO2) Surfaces for Biosensing Applications

Enhanced Urea Oxidation Electrocatalytic Activity by Synergistic Cobalt and Nickel Mixed Oxides

The interactions between TiO2 and graphene with surface inhomogeneity determined using density functional theory

Ti 3p electrons: Core or valence?

Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)

Synergy between Defects, Photoexcited Electrons, and Supported Single Atom Catalysts for CO2 Reduction

Defining the Role of Excess Electrons in the Surface Chemistry of TiO2

Influence of ∗OH adsorbates on the potentiodynamics of the CO2 generation during the electro-oxidation of ethanol

A Shell Model for Atomistic Simulation of Charge Transfer in Titania

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