The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts

S. Ringe*

Nat. Commun. 2023 , 14 , 2598 .

DOI

Cation effects on electrocatalytic reduction processes at the example of the hydrogen evolution reaction

S. Ringe*

Current Opinion in Electrochemistry 2023 , 39 , 101268 .

DOI

Active and stable PtP₂-based electrocatalysts solve the phosphate poisoning issue of high temperature fuel cells

J.H. Yu†, K. P. Singh†, S. Kim, T. H. Kang, K. S. Lee, H. Kim*, S. Ringe*, J. S. Yu*

J. Mater. Chem. A. 2023 , 11 , 6413-6427 .

DOI

Tuning the C₁/C₂ Selectivity of Electrochemical CO₂ Reduction on Cu-CeO₂ Nanorods by Oxidation State Control

S. Hong†, H. G. Abbas†, K. Jang†, K. K. Patra, B. Kim, B. U. Choi, H. Song, K. S. Lee, P. P. Choi*, S. Ringe*, J. Oh*

Adv. Mater. 2022 , 35 , 2208996 .

DOI COVER

A unifying mechanism for cation effect modulating C₁ and C₂ productions from CO₂ electroreduction

S. J Shin†, H. Choi†, S. Ringe, D. H. Won, H. S. Oh, D. H Kim, T. Lee, D. H. Nam, H. K. Kim*, C. H. Choi*

Nat. Commun. 2022 , 13 , 5482 .

DOI

Alkali Metal Ion Substituted Carboxymethyl Cellulose as Anode Polymeric Binders for Rapidly Chargeable Lithium-Ion Batteries

S. Byun†, Z. Liu†, D. O. Shin†, K. Kim†, J. Choi, Y. Roh, D. Jin, S. Jung, K. -G. Kim, Y. -G. Lee*, S. Ringe*, Y.M. Lee*

Energy Environ. Mater. 2022 , 0 , e12509 .

DOI

Boosting Electrochemical CO2 Reduction to Methane via Tuning Oxygen Vacancy Concentration and Surface Termination on a Copper/Ceria Catalyst

K. K. Patra†, Z. Liu†, H. Lee†, S. Hong, H. Song, H. G. Abbas, Y. Kwon*, S. Ringe*, J. Oh*

ACS Catal. 2022 , 12 , 10973 - 10983 .

DOI

GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water

S. Kim, S. Lebègue, S. Ringe*, H. Kim*

J. Phys. Chem. Lett. 2022 , 13 , 7574 - 7582 .

DOI

Strained Pt(221) Facet in a PtCo@Pt-Rich Catalyst Boosts Oxygen Reduction and Hydrogen Evolution Activity

E. B. Tetteh†, C. Gyan-Barimah†, H. Lee†, T. Kang, S. Kang, S. Ringe*, J. Yu*

ACS Appl. Mater. Interfaces 2022 , 14 , 25246 - 25256 .

DOI

Implicit Solvation Methods for Catalysis at Electrified Interfaces

S. Ringe†*, N. G. Hörmann†, H. Oberhofer, K. Reuter*

Chem. Rev. 2022 , 122 , 10777 - 10820 .

DOI

Using pH Dependence to Understand Mechanisms in Electrochemical CO Reduction

G. Kastlunger*, L. Wang, N. Govindarajan, H. H. Heenen, S. Ringe, T. Jaramillo, C. Hahn*, K. Chan*

ACS Catal. 2022 , 12 , 4344 - 4357 .

DOI

On the importance of the electric double layer structure in aqueous electrocatalysis

S. Shin†, D. H. Kim†, G. Bae†, S. Ringe, H. Choi, H. Lim, C. H. Choi*, H. Kim*

Nat. Commun. 2022 , 13 , 174 .

DOI

Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations

S. Ringe*

Chem Catalysis 2021 , 1 , 1160 - 1162 .

DOI

Tunable Product Selectivity in Electrochemical CO2 Reduction on Well-Mixed Ni-Cu Alloys

H. Song, Y. C. Tan, B. Kim, S. Ringe*, J. Oh*

ACS Appl. Mater. Interfaces 2021 , 13 , 55272 - 55280 .

DOI

Design of less than 1 nm Scale Spaces on SnO₂ Nanoparticles for High‐Performance Electrochemical CO₂ Reduction

M. K. Kim, H. Lee, J. H. Won, W. Sim, S. J. Kang, H. Choi, M. Sharma, H. Oh, S. Ringe*, Y. Kwon*, H. M. Jeong*

Adv. Funct. Mater. 2021 , 32 , 2107349 .

DOI COVER

Selective electrochemical reduction of nitric oxide to hydroxylamine by atomically dispersed iron catalyst

D. H. Kim†, S. Ringe†, H. Kim, S. Kim, B. Kim, G. Bae, H. Oh, F. Jaouen, W. Kim*, H. Kim*, C. H. Choi*

Nat. Commun. 2021 , 12 , 1 - 11 .

DOI

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 Catal. 2020 , 10 , 10920 - 10931 .

DOI

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*

J. Phys. Chem. C 2020 , 124 , 24765–24775 .

DOI

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

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 .

DOI

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 .

DOI

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 .

DOI

Practical Considerations for Continuum Models Applied to Surface Electrochemistry

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

Chemphyschem 2019 , 20 , 3074 - 3080 .

DOI

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

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 .

DOI

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 .

DOI

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 .

DOI

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 .

DOI

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 .

DOI

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 .

DOI

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 .

DOI

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 .

DOI

(† = equal contribution, * = corresponding author)

2023

The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts

Cation effects on electrocatalytic reduction processes at the example of the hydrogen evolution reaction

Active and stable PtP₂-based electrocatalysts solve the phosphate poisoning issue of high temperature fuel cells

Tuning the C₁/C₂ Selectivity of Electrochemical CO₂ Reduction on Cu-CeO₂ Nanorods by Oxidation State Control

2022

A unifying mechanism for cation effect modulating C₁ and C₂ productions from CO₂ electroreduction

Alkali Metal Ion Substituted Carboxymethyl Cellulose as Anode Polymeric Binders for Rapidly Chargeable Lithium-Ion Batteries

Boosting Electrochemical CO2 Reduction to Methane via Tuning Oxygen Vacancy Concentration and Surface Termination on a Copper/Ceria Catalyst

GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water

Strained Pt(221) Facet in a PtCo@Pt-Rich Catalyst Boosts Oxygen Reduction and Hydrogen Evolution Activity

Implicit Solvation Methods for Catalysis at Electrified Interfaces

Using pH Dependence to Understand Mechanisms in Electrochemical CO Reduction

On the importance of the electric double layer structure in aqueous electrocatalysis

2021

Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations

Tunable Product Selectivity in Electrochemical CO2 Reduction on Well-Mixed Ni-Cu Alloys

Design of less than 1 nm Scale Spaces on SnO₂ Nanoparticles for High‐Performance Electrochemical CO₂ Reduction

Selective electrochemical reduction of nitric oxide to hydroxylamine by atomically dispersed iron catalyst

2020

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

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

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

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

2019

Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide

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

Practical Considerations for Continuum Models Applied to Surface Electrochemistry

Understanding cation effects in electrochemical CO₂ reduction

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

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

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

Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models

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

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

before 2019

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

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

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