4.4 Review

Modeling of electron transfer across electrochemical interfaces: State-of-the art and challenges for quantum and computational chemistry

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Electrolyte effects in a model of proton discharge on charged electrodes

Johannes Wiebe et al.

SURFACE SCIENCE (2015)

Article Chemistry, Physical

Towards first principles modeling of electrochemical electrode-electrolyte interfaces

Malte Nielsen et al.

SURFACE SCIENCE (2015)

Article Chemistry, Physical

On the Electrochemical Deposition and Dissolution of Divalent Metal Ions

Leandro M. C. Pinto et al.

CHEMPHYSCHEM (2014)

Article Chemistry, Physical

Quantum fluctuations and isotope effects in ab initio descriptions of water

Lu Wang et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Electrostatics of liquid interfaces

Dmitry V. Matyushov

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Why Silver Deposition is so Fast: Solving the Enigma of Metal Deposition

Leandro M. C. Pinto et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Article Electrochemistry

Solvated protons in density functional theory-A few examples

P. Quaino et al.

ELECTROCHIMICA ACTA (2013)

Article Chemistry, Physical

Orbital Overlap Effects in Electron Transfer Reactions across a Metal Nanowire/Electrolyte Solution Interface

Renat R. Nazmutdinov et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

Article Chemistry, Physical

Nature of proton transport in a water-filled carbon nanotube and in liquid water

Ji Chen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c(4)

Renat R. Nazmutdinov et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Theory of electrocatalysis: hydrogen evolution and more

E. Santos et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Electrochemistry

Electrochemical Transistor Based on Bridge Tunneling Contact Containing Two Redox Groups

I. G. Medvedev

RUSSIAN JOURNAL OF ELECTROCHEMISTRY (2012)

Article Electrochemistry

Modeling proton transfer to charged silver electrodes

F. Wilhelm et al.

ELECTROCHIMICA ACTA (2011)

Article Chemistry, Physical

A model for the Heyrovsky reaction as the second step in hydrogen evolution

E. Santos et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Formalisms for electron-exchange kinetics in aqueous solution and the role of Ab initio techniques in their implementation

Marshall D. Newton

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)

Article Chemistry, Physical

Toward the Reactivity Prediction: Outersphere Electroreduction of Transition-Metal Ammine Complexes

Renat R. Nazmutdinov et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

Article Materials Science, Multidisciplinary

Model for the electrocatalysis of hydrogen evolution

E. Santos et al.

PHYSICAL REVIEW B (2009)

Article Chemistry, Physical

Modeling the electrified solid-liquid interface

Jan Rossmeisl et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Chemistry, Inorganic & Nuclear

Medium and interfacial effects in the multistep reduction of binuclear complexes with Robson-type ligand

Renat R. Nazmutdinov et al.

INORGANIC CHEMISTRY (2008)

Article Electrochemistry

Modeling of solvent viscosity effects on the electroreduction of Pt(II) aquachlorocomplexes

Renat R. Nazmutdinov et al.

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (2008)

Article Chemistry, Analytical

Challenge of the discharge of a hydronium ion at a mercury electrode: Beyond the Tafel plots

Renat R. Nazmutdinov et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2007)

Article Chemistry, Physical

Fundamental aspects of electrocatalysis

E. Santos et al.

CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory

G. S. Karlberg et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

The effect of 'hot' electrons on the heterogeneous adiabatic charge transfer reactions

Renat R. Nazmutdinov et al.

CHEMICAL PHYSICS LETTERS (2006)

Article Chemistry, Physical

Distance dependence of heterogeneous electron transfer through the nonadiabatic and adiabatic regimes

Stephen W. Feldberg et al.

CHEMICAL PHYSICS (2006)

Article Chemistry, Analytical

A simple comparison of interfacial electron-transfer rates for surface-attached and bulk solution-dissolved redox moieties

JF Smalley et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2006)

Article Electrochemistry

Why does the hydrolysis of In(III) aquacomplexes make them electrochemically more active?

RR Nazmutdinov et al.

ELECTROCHIMICA ACTA (2005)

Article Chemistry, Analytical

Exploring the molecular features of cationic catalysis phenomenon: Peroxodisulfate reduction at a mercury electrode

RR Nazmutdinov et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2005)

Article Chemistry, Physical

Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes

RR Namutdinov et al.

CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Electron correlation effects in the adiabatic charge transfer reactions at the metal/polar liquid interface

AM Kuznetsov et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Electrochemistry

Ab initio and classical molecular dynamics studies of electrode reactions

C Hartnig et al.

ELECTROCHIMICA ACTA (2003)

Article Chemistry, Multidisciplinary

Solvent reorganization in electron and ion transfer reactions near a smooth electrified surface: a molecular dynamics study

C Hartnig et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Multidisciplinary

Heterogeneous electron-transfer kinetics for ruthenium and ferrocene redox moieties through alkanethiol monolayers on gold

JF Smalley et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Analytical

Monte Carlo simulation of electrochemical electron transfer processes

AM Kuznetsov et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2002)

Article Electrochemistry

Molecular description of the persulfate ion reduction on a mercury electrode

RR Nazmutdinov et al.

RUSSIAN JOURNAL OF ELECTROCHEMISTRY (2002)

Review Chemistry, Physical

Electronic properties of functional biomolecules at metal/aqueous solution interfaces

J Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2002)

Article Electrochemistry

Catalytic effect of platinum on oxygen reduction -: An ab initio model including electrode potential dependence

AB Anderson et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2000)

Article Chemistry, Physical

Nonadiabatic electron-transfer at metal surfaces

S Gosavi et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2000)