Theoretical modeling of electrochemical proton-coupled electron transfer

RE Warburton, AV Soudackov… - Chemical …, 2022 - ACS Publications
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of
electrocatalytic processes. A vast array of theoretical and computational methods have been …

Electronic excitations in metals and at metal surfaces

EV Chulkov, AG Borisov, JP Gauyacq… - Chemical …, 2006 - ACS Publications
Electron excitations in metal systems play an important role in many chemical and physical
phenomena. They are of paramount importance for energy transfer in photochemical …

Quantum description of the plasmon resonances of a nanoparticle dimer

J Zuloaga, E Prodan, P Nordlander - Nano letters, 2009 - ACS Publications
Using time-dependent density functional theory, we present a fully quantum mechanical
investigation of the plasmon resonances in a nanoparticle dimer as a function of interparticle …

Efficient and intuitive method for the analysis of light scattering by a resonant nanostructure

Q Bai, M Perrin, C Sauvan, JP Hugonin, P Lalanne - Optics express, 2013 - opg.optica.org
We present a semi-analytical formalism capable of handling the coupling of electromagnetic
sources, such as point dipoles or free-propagating fields, with various kinds of dissipative …

Resonances in electron scattering by molecules on surfaces

RE Palmer, PJ Rous - Reviews of modern physics, 1992 - APS
This article reviews the discovery, exploration, and application of negative-ion resonances in
inelastic electron scattering by molecules adsorbed on surfaces. A major theme of the …

Derivation of a master equation for charge-transfer processes in atom-surface collisions

DC Langreth, P Nordlander - Physical Review B, 1991 - APS
The time-dependent Anderson model for multiple levels interacting with a continuum is
studied using the slave-boson Green's-function technique, with an eye to understanding …

Nonequilibrium theory of scanning tunneling spectroscopy via adsorbate resonances: Nonmagnetic and Kondo impurities

M Plihal, JW Gadzuk - Physical Review B, 2001 - APS
We report on a fully nonequilibrium theory of scanning tunneling microscopy (STM) through
resonances induced by impurity atoms adsorbed on metal surfaces. The theory takes into …

Decay of electronic excitations at metal surfaces

PM Echenique, R Berndt, EV Chulkov, T Fauster… - Surface Science …, 2004 - Elsevier
Recent experimental work has reached an accurate determination of surface-state linewidth
by scanning tunneling spectroscopy, photoemission and directly in the time domain by two …

Resonance-assisted, hot-electron-induced desorption

JW Gadzuk - Surface science, 1995 - Elsevier
The phenomenon of resonance-assisted hot-electron-induced desorption of adsorbed
atoms or molecules is considered in terms of a semi-classical Gaussian wavepacket model …

Decay dynamics of photoexcited alkali chemisorbates: Real-time investigations in the femtosecond regime

M Bauer, S Pawlik, M Aeschlimann - Physical Review B, 1999 - APS
The inelastic decay time of photoexcited cesium and sodium adsorbed on different single-
crystal surfaces has been investigated by means of time-resolved two-photon …