Recent developments in Kramers' theory of reaction rates

E Pollak, S Miret‐Artés - ChemPhysChem, 2023 - Wiley Online Library
In this short review, we provide an update of recent developments in Kramers' theory of
reaction rates. After a brief introduction stressing the importance of this theory initially …

Energy dissipation during diffusion at metal surfaces: disentangling the role of phonons versus electron-hole pairs

SP Rittmeyer, DJ Ward, P Gütlein, J Ellis, W Allison… - Physical review …, 2016 - APS
Helium spin echo experiments combined with ab initio based Langevin molecular dynamics
simulations are used to quantify the adsorbate-substrate coupling during the thermal …

The application of quasi-elastic neutron scattering techniques (QENS) in surface diffusion studies

I Calvo-Almazán, P Fouquet - The European Physical Journal Special …, 2012 - Springer
Neutron scattering techniques such as quasi-elastic neutron scattering, QENS, have proven
to be well-suited tools for studying structure and dynamics of surface adsorbed molecules. In …

Benzene diffusion on graphite described by a rough hard disk model

I Calvo-Almazán, E Bahn, MM Koza, M Zbiri… - Carbon, 2014 - Elsevier
New insight into the nature of diffusion and the origin of friction of a prototype system for
weak physisorption–benzene molecules, C 6 H 6, adsorbed on the basal plane (0 0 0 1) of …

Surface diffusion within the Caldeira–Leggett formalism

EE Torres-Miyares, G Rojas-Lorenzo… - Physical Chemistry …, 2022 - pubs.rsc.org
Surface diffusion is described in terms of the intermediate scattering function in the time
domain and reciprocal space. Two extreme time regimes are analyzed, ballistic (very short …

Ultrafast molecular transport on carbon surfaces: the diffusion of ammonia on graphite

A Tamtögl, M Sacchi, I Calvo-Almazán, M Zbiri… - Carbon, 2018 - Elsevier
We present a combined experimental and theoretical study of the self-diffusion of ammonia
on exfoliated graphite. Using neutron time-of-flight spectroscopy we are able to resolve the …

The intermediate scattering function for quasi-elastic scattering in the presence of memory friction

PSM Townsend, DJ Ward - Journal of Physics Communications, 2018 - iopscience.iop.org
We derive an analytical expression for the intermediate scattering function of a particle on a
flat surface obeying the Generalised Langevin equation, with exponential memory friction …

Diffusion of light adsorbates on transition metal surfaces

PSM Townsend - 2018 - repository.cam.ac.uk
Helium-3 surface spin echo spectroscopy (HeSE) has been used to measure the diffusive
dynamics of adsorbates on close-packed metal surfaces, namely hydrogen on Cu (111), Pd …

Vibrational lifetimes and friction in adsorbate motion determined from quasi-elastic scattering

BAJ Lechner, H Hedgeland, AP Jardine… - Physical Chemistry …, 2015 - pubs.rsc.org
The vibrational excitation of molecules adsorbed on a surface is typically probed by
spectroscopic techniques such as infrared or Raman spectroscopy. In the present article we …

Quantum surface diffusion in Bohmian mechanics

S Miret-Artés - Journal of Physics Communications, 2018 - iopscience.iop.org
Surface diffusion of small adsorbates is analyzed in terms of the so-called intermediate
scattering function and dynamic structure factor, observables in experiments using the well …