Mechanistic Insights about Electrochemical Proton-Coupled Electron Transfer Derived from a Vibrational Probe

Interfacial Polarization and Ionic Structure at the Ionic Liquid–Metal Interface Studied by Vibrational Spectroscopy and Molecular Dynamics Simulations

(2021) Matthew J. Voegtle et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electric Fields at Metal–Surfactant Interfaces: A Combined Vibrational Spectroscopy and Capacitance Study

(2020) Sohini Sarkar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces

(2020) Zachary K. Goldsmith et al.   ACS Central Science

Determining Proton-Coupled Standard Potentials and X–H Bond Dissociation Free Energies in Nonaqueous Solvents using Open-Circuit Potential Measurements

(2020) Catherine F. Wise et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing the Predominant Surface Facets of Rough Cu Electrodes Under Electrochemical Conditions

(2020) Charuni Menaka Gunathunge et al.   ACS Catalysis

Strong Propensity of Ionic Liquids in Their Aqueous Solutions for an Organic-Modified Metal Surface

(2020) Anuj K. Pennathur et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Coupling of Electron Transfer to Proton Transfer at Electrified Interfaces

(2020) Aimin Ge et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface-Adsorbed CO as an Infrared Probe of Electrocatalytic Interfaces

(2020) Charuni M. Gunathunge et al.   ACS Catalysis

The role of adsorbed hydroxide in hydrogen evolution reaction kinetics on modified platinum

(2020) Ian T. McCrum et al.   Nature Energy

Interfacial Field-Driven Proton-Coupled Electron Transfer at Graphite-Conjugated Organic Acids

(2020) Robert E. Warburton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrodes as Polarizing Functional Groups: Correlation between Hammett Parameters and Electrochemical Polarization

(2019) Sohini Sarkar et al.   Journal of Physical Chemistry C

Advancing Techniques for Investigating the Enzyme–Electrode Interface

(2019) Nikolay Kornienko et al.   ACCOUNTS OF CHEMICAL RESEARCH

Modulating the Electrode–Electrolyte Interface with Cationic Surfactants in Carbon Dioxide Reduction

(2019) Soumyodip Banerjee et al.   ACS Catalysis

Probing CO2 Conversion Chemistry on Nanostructured Surfaces with Operando Vibrational Spectroscopy

(2019) Nina Heidary et al.   NANO LETTERS

How cations affect the electric double layer and the rates and selectivity of electrocatalytic processes

(2019) Matthias M. Waegele et al.   JOURNAL OF CHEMICAL PHYSICS

Measuring Electric Fields in Biological Matter Using the Vibrational Stark Effect of Nitrile Probes

(2018) Joshua D. Slocum et al.   Annual Review of Physical Chemistry

Rational design of electrocatalysts and photo(electro)catalysts for nitrogen reduction to ammonia (NH3) under ambient conditions

(2018) Chunxian Guo et al.   Energy & Environmental Science

Controlled-Potential Simulation of Elementary Electrochemical Reactions: Proton Discharge on Metal Surfaces

(2018) Georg Kastlunger et al.   Journal of Physical Chemistry C

A Continuum of Proton-Coupled Electron Transfer Reactivity

(2018) Julia W. Darcy et al.   ACCOUNTS OF CHEMICAL RESEARCH

Vibrational States and Nitrile Lifetimes of Cyanophenylalanine Isotopomers in Solution

(2018) Hari Datt Pandey et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope Effects

(2018) Zachary K. Goldsmith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Studies of electrochemical interfaces by broadband sum frequency generation

(2017) Natalia García Rey et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling

(2017) Aimin Ge et al.   Journal of Physical Chemistry C

Direct Spectroscopic Measurement of Interfacial Electric Fields near an Electrode under Polarizing or Current-Carrying Conditions

(2017) Joel G. Patrow et al.   Journal of Physical Chemistry C

Solvation Reaction Field at the Interface Measured by Vibrational Sum Frequency Generation Spectroscopy

(2017) Shayne A. Sorenson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Donor-Dependent Kinetics of Interfacial Proton-Coupled Electron Transfer

(2016) Megan N. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Measuring Electric Fields and Noncovalent Interactions Using the Vibrational Stark Effect

(2015) Stephen D. Fried et al.   ACCOUNTS OF CHEMICAL RESEARCH

Intermediates Involved in the 2e–/2H+ Reduction of CO2 to CO by Iron(0) Porphyrin

(2015) Biswajit Mondal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

(2015) Federico Calle-Vallejo et al.   Nature Chemistry

Solvation structure and energetics of electrolytes for multivalent energy storage

(2014) Saul H. Lapidus et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Extreme electric fields power catalysis in the active site of ketosteroid isomerase

(2014) Stephen D. Fried et al.   SCIENCE

Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO2 Reduction by fac-Re(bpy)(CO)3Cl

(2013) John A. Keith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Efficiency of Enzymes: A Theoretical Analysis

(2012) Sharon Hammes-Schiffer   BIOCHEMISTRY

Proton-Coupled Electron Transfer

(2012) David R. Weinberg et al.   CHEMICAL REVIEWS

Catalysis of the electrochemical reduction of carbon dioxide

(2012) Cyrille Costentin et al.   CHEMICAL SOCIETY REVIEWS

Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces

(2012) Gal Schkolnik et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Revised self-consistent continuum solvation in electronic-structure calculations

(2012) Oliviero Andreussi et al.   JOURNAL OF CHEMICAL PHYSICS

SERS: Materials, applications, and the future

(2012) Bhavya Sharma et al.   Materials Today

Hydrogen Electrocatalysis on Single Crystals and on Nanostructured Electrodes

(2011) Elizabeth Santos et al.   CHEMPHYSCHEM

Site-Specific Spectroscopic Reporters of the Local Electric Field, Hydration, Structure, and Dynamics of Biomolecules

(2011) Matthias M. Waegele et al.   Journal of Physical Chemistry Letters

Role of axially coordinated surface sites for electrochemically controlled carbon monoxide adsorption on single crystal copper electrodes

(2011) Scott K. Shaw et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

(2010) Jeffrey J. Warren et al.   CHEMICAL REVIEWS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Impedance spectroscopy of H and OH adsorption on stepped single-crystal platinum electrodes in alkaline and acidic media

(2010) K. J. P. Schouten et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes

(2009) Sharon Hammes-Schiffer   ACCOUNTS OF CHEMICAL RESEARCH

Chemistry of Personalized Solar Energy

(2009) Daniel G. Nocera   INORGANIC CHEMISTRY

Dielectric Relaxation in Dimethyl Sulfoxide/Water Mixtures Studied by Microwave Dielectric Relaxation Spectroscopy

(2009) Zijie Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electrochemically Driven Reorientation of Three Ionic States of p-Aminobenzoic Acid on Ag(111)

(2009) Scott K. Shaw et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of the adsorption ofNH3on Ag surfaces

(2009) M. G. Stachiotti   PHYSICAL REVIEW B

Desolvation of Ions in Subnanometer Pores and Its Effect on Capacitance and Double-Layer Theory

(2008) John Chmiola et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B