Atomistic Insight into Cation Effects on Binding Energies in Cu-Catalyzed Carbon Dioxide Reduction

T. Ludwig, J. A. Gauthier, C. F. Dickens, K. S. Brown, S. Ringe, K. Chan, J. K. Nørskov*

The Journal of Physical Chemistry C 2020 , , .

Thermal Transformation of Molecular Ni²⁺–N₄ Sites for Enhanced CO₂ Electroreduction Activity

Y. J. Sa†, H. Jung†, D. Shin†, H. Y. Jeong, S. Ringe, H. Kim*, Y. J. Hwang*, S. H. Joo*

ACS Catalysis 2020 , 10 , 10920 - 10931 .

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Electric field mediated selectivity switching of electrochemical CO₂ reduction from formate to CO on carbon supported Sn

M. Lee†, S. Ringe†, H. Kim*, S. Kang*, Y. Kwon*

ACS Energy Lett 2020 , 5 , 2987 - 2994 .

DOI COVER

Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide

C. Xia†, S. Back†, S. Ringe†, K. Jiang, F. Chen, X. Sun, S. Siahrostami*, K. Chan*, H. Wang*

Nature Catalysis 2020 , 1 , 1 - 10 .

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Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold

S. Ringe†*, C. G. Morales-Guio†, L. D. Chen, M. Fields, T. F. Jaramillo, C. Hahn, K. Chan*

Nat. Commun. 2020 , 11 , 1 - 11 .

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Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

J. A. Gauthier, C. F. Dickens, H. H. Heenen, S. Vijay, S. Ringe, K. Chan*

J. Chem. Theory Comput. 2019 , 15 , 6895 - 6906 .

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Practical Considerations for Continuum Models Applied to Surface Electrochemistry

J. A. Gauthier†, C. F. Dickens†, S. Ringe, K. Chan*

Chemphyschem 2019 , 20 , 3074 - 3080 .

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A Two-Dimensional MoS₂ Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA)

Y. Wu†, S. Ringe†, C. Wu, W. Chen, A. Yang, H. Chen, M. Tang, G. Zhou, H. Y. Hwang, K. Chan*, Y. Cui*

Nano Lett. 2019 , 19 , 7293 - 7300 .

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Understanding cation effects in electrochemical CO₂ reduction

S. Ringe†*, E. L. Clark†, J. Resasco, A. Walton, B. Seger, A. T. Bell, K. Chan*

Energy Environ. Sci. 2019 , 12 , 3001 - 3014 .

DOI HIGHLIGHT HOT COVER

Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO₂ to CO

E. L. Clark†, S. Ringe†, M. Tang, A. Walton, C. Hahn, T. F. Jaramillo, K. Chan, A. T. Bell*

ACS Catal. 2019 , 9 , 4006 - 4014 .

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Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reduction on a Stepped Cu Surface

T. Ludwig, J. A. Gauthier, K. S. Brown, S. Ringe, J. K. Nørskov, K. Chan*

J. Phys. Chem. C 2019 , 123 , 5999 - 6009 .

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Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models

J. A. Gauthier, S. Ringe, C. F. Dickens, A. J. Garza, A. T. Bell, M. Head-Gordon, J. K. Nørskov, K. Chan*

ACS Catal. 2019 , 9 , 920 - 931 .

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Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

C. Hille†, S. Ringe†*, M. Deimel, C. Kunkel, W. E. Acree, K. Reuter, H. Oberhofer

J. Chem. Phys. 2019 , 150 , 041710 .

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pH effects on the electrochemical reduction of CO₂ towards C₂ products on stepped copper

X. Liu, P. Schlexer, J. Xiao, Y. Ji, L. Wang, R. B. Sandberg, M. Tang, K. S. Brown, H. Peng, S. Ringe, C. Hahn, T. F. Jaramillo, J. K. Nørskov, K. Chan*

Nat. Commun. 2019 , 10 , 32 .

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Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

A. M. Patel, S. Ringe, S. Siahrostami, M. Bajdich, J. K. Nørskov, A. R. Kulkarni*

J. Phys. Chem. C 2018 , 122 , 29307 - 29318 .

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Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions

S. Ringe†*, H. Oberhofer, K. Reuter

J. Chem. Phys. 2017 , 146 , 134103 .

DOI COVER

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT

S. Ringe†, H. Oberhofer*, C. Hille, S. Matera, K. Reuter

J. Chem. Theory Comput. 2016 , 12 , 4052 - 4066 .

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