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The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Angewandte Chemie (International ed.), 2019-03, Vol.58 (11), p.3527-3532

International ed. in English, 2019

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Electrochemically Tunable Proton‐Coupled Electron Transfer in Pd‐Catalyzed Benzaldehyde Hydrogenation

Angewandte Chemie (International ed.), 2020-01, Vol.59 (4), p.1501-1505

International ed. in English, 2020

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Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria

Angewandte Chemie (International ed.), 2021-10, Vol.60 (42), p.22769-22775

International ed. in English, 2021

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Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

Chemical reviews, 2020-10, Vol.120 (20), p.11370-11419

2020

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Chloride and Hydride Transfer as Keys to Catalytic Upcycling of Polyethylene into Liquid Alkanes

Angewandte Chemie International Edition, 2024-04, Vol.63 (17), p.e202319580-n/a

International ed. in English, 2024

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Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase

Angewandte Chemie (International ed.), 2021-01, Vol.60 (1), p.290-296

International ed. in English, 2021

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Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis

Catalysis science & technology, 2022-01, Vol.12 (1), p.12-37

2022

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Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H‑ZSM‑5

Journal of physical chemistry. C, 2016-04, Vol.120 (13), p.7172-7182

2016

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Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds

Physical review. B, Condensed matter and materials physics, 2011-02, Vol.83 (8), Article 085204

2011

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Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors

Physical review. B, Condensed matter and materials physics, 2012-04, Vol.85 (16), Article 165149

2012

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Insights into Acetic Acid Binding and Ketene Formation on Anatase TiO2(101)

Topics in catalysis, 2023-09, Vol.66 (15-16), p.1087-1101

2023

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Microstructural Response of Variably Hydrated Ca-rich Montmorillonite to Supercritical CO2

Environmental science & technology, 2014-08, Vol.48 (15), p.8612-8619

2014

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Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study

The Journal of chemical physics, 2020-04, Vol.152 (15), p.154703-154703

2020

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Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study

ACS nano, 2017-02, Vol.11 (2), p.1649-1658

2017

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Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity

The journal of physical chemistry letters, 2016-05, Vol.7 (9), p.1646-1652

2016

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Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations

Scientific reports, 2015-10, Vol.5 (1), p.14857-14857, Article 14857

2015

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Corrigendum: The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Angewandte Chemie International Edition, 2020-08, Vol.59 (32), p.13149-13149

International ed. in English, 2020

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Binding and stability of MgO monomers on anatase TiO2(101)

The Journal of chemical physics, 2021-05, Vol.154 (20), p.204703-204703

2021

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Aluminum Zintl anion moieties within sodium aluminum clusters

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054301-054301

2014

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Lithium-ion hopping weakens thermal stability of LiPF6 carbonate electrolytes

Cell reports physical science, 2024-01, Vol.5 (1), p.101768, Article 101768

2024

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CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways

Journal of the American Chemical Society, 2016-08, Vol.138 (33), p.10467-10476

2016

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Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (34), p.199-1921

2020

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High-pressure polymeric phases of carbon dioxide

Proceedings of the National Academy of Sciences - PNAS, 2009-04, Vol.106 (15), p.6077-6081

2009

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Mixtures of planetary ices at extreme conditions

Nature communications, 2011-02, Vol.2 (1), p.185-185, Article 185

2011

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Activity of Cu–Al–Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites

JACS Au, 2021-09, Vol.1 (9), p.1412-1421

2021

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The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Electrochemically Tunable Proton‐Coupled Electron Transfer in Pd‐Catalyzed Benzaldehyde Hydrogenation

Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria

Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

Chloride and Hydride Transfer as Keys to Catalytic Upcycling of Polyethylene into Liquid Alkanes

Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase

Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis

Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H‑ZSM‑5

Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds

Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors

Insights into Acetic Acid Binding and Ketene Formation on Anatase TiO2(101)

Microstructural Response of Variably Hydrated Ca-rich Montmorillonite to Supercritical CO2

Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study

Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study

Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity

Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations

Corrigendum: The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Binding and stability of MgO monomers on anatase TiO2(101)

Aluminum Zintl anion moieties within sodium aluminum clusters

Lithium-ion hopping weakens thermal stability of LiPF6 carbonate electrolytes

CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways

Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents

High-pressure polymeric phases of carbon dioxide

Mixtures of planetary ices at extreme conditions

Activity of Cu–Al–Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites

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