Quantum dynamical approach to ultrafast molecular desorption from surfaces

P Saalfrank - Chemical reviews, 2006 - ACS Publications
The desorption of atoms or molecules from solid surfaces is a key step in heterogeneous
catalysis, photocatalysis, electrochemistry, and surface nanochemistry. The breaking of a …

[图书][B] Surface science techniques

G Bracco, B Holst - 2013 - books.google.com
The book describes the experimental techniques employed to study surfaces and interfaces.
The emphasis is on the experimental method. Therefore all chapters start with an …

Excited states in the alkali/noble metal surface systems: A model system for the study of charge transfer dynamics at surfaces

JP Gauyacq, AG Borisov, M Bauer - Progress in Surface Science, 2007 - Elsevier
The low coverage adsorption of alkalis on metal surfaces induces excited states localised on
the adsorbate. In the case of noble metal substrates, these excited states can exhibit a very …

Anomalous neutralization characteristics in neutralization on Al(111) surfaces

P Liu, L Yin, Z Zhang, B Ding, Y Shi, Y Li, X Zhang… - Physical Review A, 2020 - APS
The jellium model of free electron gas and its extended version have been widely used to
understand the neutralization of alkali-metal ions on metal surfaces. We report an …

Towards quantitative LEIS with alkali metal ions

IK Gainullin - Surface Science, 2018 - Elsevier
Nowadays low-energy ion scattering (LEIS) is known as a technique with the best surface
sensitivity. In this paper we consider the surface composition analysis of metallic samples by …

Three-dimensional modeling of resonant charge transfer between ion beams and metallic surfaces

IK Gainullin - Physical Review A, 2017 - APS
This study addresses the numerical modeling of resonant charge transfer (RCT) during ion-
surface interactions. In our approach we use the original ab initio three-dimensional (3D) …

Dynamical resonant neutralization of low-energy ions scattered from Au(111), Pd(111), Cu(111), and Cu(110) surfaces

L Gao, Y Zhu, Y Shi, P Liu, Y Xiao, G Li, Y Liu… - Physical Review A, 2017 - APS
The nonmonotonic energy dependence of the L i 0 fraction on high-work-function surfaces
has not been understood so far. To further study this phenomenon, in this work, efficient …

High-performance parallel solver for 3D time-dependent Schrodinger equation for large-scale nanosystems

IK Gainullin, MA Sonkin - Computer Physics Communications, 2015 - Elsevier
A parallelized three-dimensional (3D) time-dependent Schrodinger equation (TDSE) solver
for one-electron systems is presented in this paper. The TDSE Solver is based on the finite …

High-performance GPU parallel solver for 3D modeling of electron transfer during ion–surface interaction

IK Gainullin - Computer Physics Communications, 2017 - Elsevier
This study presents parallelized time-dependent Schrödinger equation solver (GPU TDSE
Solver) for 3D modeling of resonant electron transfer (RCT) during ion–surface interactions …

Three-dimensional effects in resonant charge transfer between atomic particles and nanosystems

IK Gainullin, MA Sonkin - Physical Review A, 2015 - APS
Resonant charge transfer (RCT) between negative ions and a metallic nanosystem was
investigated by means of a high-performance ab initio three-dimensional (3D) numerical …