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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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Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory study

Electrochimica acta, 2015-08, Vol.173, p.302-309

2015

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Toward Engineering of Solution Microenvironments for the CO2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory

The journal of physical chemistry letters, 2020-05, Vol.11 (10), p.4113-4118

2020

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Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces

The Journal of chemical physics, 2012-08, Vol.137 (8), p.084703-084703

2012

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Microstructural impacts on ionic conductivity of oxide solid electrolytes from a combined atomistic-mesoscale approach

npj computational materials, 2021-12, Vol.7 (1), p.1-15, Article 214

2021

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Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites

The Journal of chemical physics, 2011-09, Vol.135 (10), p.104702-104702

2011

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A simple method to approximate electrode potential-dependent activation energies using density functional theory

Catalysis today, 2017-06, Vol.288, p.63-73

2017

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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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Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes

Physical review letters, 2016-02, Vol.116 (5), p.055901-055901, Article 055901

2016

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Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO 2 capture in liquid ammonia

Chemical science (Cambridge), 2024-08, Vol.15 (33), p.13173-13180

2024

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Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds

ACS catalysis, 2019-11, Vol.9 (11), p.9964-9972

2019

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A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes

ACS catalysis, 2018-08, Vol.8 (8), p.7645-7658

2018

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Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (38), p.20429

2014

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Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction

Chemphyschem, 2024-05, Vol.25 (10), p.e202300959-n/a

2024

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Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO2 capture in liquid ammonia

Chemical science (Cambridge), 2024-08, Vol.15 (33), p.13173-13180

2024

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Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh

ACS catalysis, 2019-02, Vol.9 (2), p.1120-1128

2019

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Theoretical Investigation of the Adsorbate and Potential-Induced Stability of Cu Facets During Electrochemical CO 2 and CO Reduction

Chemphyschem, 2024-05, Vol.25 (10), p.e202300959

2024

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Single-Step Conversion of Ethanol to n‑Butene over Ag-ZrO2/SiO2 Catalysts

ACS catalysis, 2020-09, Vol.10 (18), p.10602-10613

2020

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Thermal modulation of reaction equilibria controls mass transfer in CO2-binding organic liquids

Energy & environmental science, 2023-02, Vol.16 (2), p.484-490

2023

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Applied Potentials in Variable-Charge Reactive Force Fields for Electrochemical Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-01, Vol.122 (2), p.631-638

2018

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Cu Based Dilute Alloys for Tuning the C2+ Selectivity of Electrochemical CO2 Reduction

Small (Weinheim an der Bergstrasse, Germany), 2024-07, Vol.N/A (N/A), p.e2401656

2024

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Cu Based Dilute Alloys for Tuning the C 2+ Selectivity of Electrochemical CO 2 Reduction

Small (Weinheim an der Bergstrasse, Germany), 2024-07, p.e2401656

2024

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Evaluating the stability and activity of dilute Cu-based alloys for electrochemical CO2 reduction

The Journal of chemical physics, 2021-09, Vol.155 (11), p.114702-114702

2021

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Silver-decorated palladium on carbon catalyst for enhanced ammonium formate dehydrogenation

Catalysis science & technology, 2024-01, Vol.14 (2), p.449-463

2024

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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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Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory study

Toward Engineering of Solution Microenvironments for the CO2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory

Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces

Microstructural impacts on ionic conductivity of oxide solid electrolytes from a combined atomistic-mesoscale approach

Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites

A simple method to approximate electrode potential-dependent activation energies using density functional theory

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes

Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO 2 capture in liquid ammonia

Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds

A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes

Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals

Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction

Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO2 capture in liquid ammonia

Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh

Theoretical Investigation of the Adsorbate and Potential-Induced Stability of Cu Facets During Electrochemical CO 2 and CO Reduction

Single-Step Conversion of Ethanol to n‑Butene over Ag-ZrO2/SiO2 Catalysts

Thermal modulation of reaction equilibria controls mass transfer in CO2-binding organic liquids

Applied Potentials in Variable-Charge Reactive Force Fields for Electrochemical Systems

Cu Based Dilute Alloys for Tuning the C2+ Selectivity of Electrochemical CO2 Reduction

Cu Based Dilute Alloys for Tuning the C 2+ Selectivity of Electrochemical CO 2 Reduction

Evaluating the stability and activity of dilute Cu-based alloys for electrochemical CO2 reduction

Silver-decorated palladium on carbon catalyst for enhanced ammonium formate dehydrogenation

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

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