Time-dependent density functional theory study of charge transfer in collisions

G Avendaño-Franco, B Piraux, M Grüning… - Theoretical Chemistry in …, 2014 - Springer
We study the charge transfer between colliding ions, atoms, or molecules, within time-
dependent density functional theory. Two particular cases are presented, the collision …

Computer Simulations of the Sputtering of Metallic, Organic, and Metal–Organic Surfaces with Bin and C60 Projectiles

A Delcorte, C Leblanc, C Poleunis… - The Journal of Physical …, 2013 - ACS Publications
This study focuses on the microscopic modeling of 0–25 keV Bi1–3–5 and C60 cluster
impacts on three different targets (Au crystal, adsorbed Au nanoparticle, and organic solid) …

Cluster impacts in organics: microscopic models and universal sputtering curves

A Delcorte, OA Restrepo, K Hamraoui… - Surface and Interface …, 2014 - Wiley Online Library
This article reviews the results of molecular dynamics simulations of kilo‐electron‐volt
projectile (Ga, Au1− 400, Bi1− 5, C60, Ar60− 2000 and organic clusters) impacts with two …

Argon cluster sputtering of a hybrid metal–organic surface: a microscopic view

OA Restrepo, A Delcorte - The Journal of Physical Chemistry C, 2013 - ACS Publications
Argon clusters are increasingly used for organic mass spectrometry and 3D imaging, but
their interaction with complex samples is not well understood yet. In this study, the …

Cluster SIMS of organic materials: theoretical insights

A Delcorte, OA Restrepo… - Cluster Secondary Ion …, 2013 - Wiley Online Library
This chapter discusses the case of organic and related materials, with a few examples taken
from other types of systems when deemed necessary. It focuses on problems of cluster …

Computer simulations of cluster impacts: effects of the atomic masses of the projectile and target

OA Restrepo, X Gonze, P Bertrand… - Physical Chemistry …, 2013 - pubs.rsc.org
Cluster secondary ion mass spectrometry is now widely used for the characterization of
nanostructures. In order to gain a better understanding of the physics of keV cluster …

Insights into the yield enhancement and ion emission process in metal‐assisted SIMS

L Nittler, A Delcorte, P Bertrand… - Surface and interface …, 2013 - Wiley Online Library
Although nowadays the use of cluster ion sources seems to enhance the secondary ion
emission for nearly all materials, the technique of metal‐assisted SIMS can still give further …

Dynamics Displayed by Energetic C60 Bombardment of Metal Overlayers on an Organic Substrate

PE Kennedy, Z Postawa, BJ Garrison - Analytical chemistry, 2013 - ACS Publications
Cluster bombardments of 15 keV C60 on metal–organic interfaces composed of silver atoms
and octatetraene molecules were modeled using molecular dynamics computer simulations …

Surface Analysis of Organic Materials with Polyatomic Primary Ion Sources

CM Mahoney - Cluster Secondary Ion Mass Spectrometry …, 2013 - Wiley Online Library
This chapter addresses the application of cluster ion beams for static secondary ion mass
spectrometry (SIMS)(surface analysis) of soft materials using cluster primary ion beams and …

[PDF][PDF] Canan TURGUT

S DELLA NEGRA, P PHILIPP - 2015 - docnum.univ-lorraine.fr
In this chapter we will cover literature studies related to deposition and sticking of organic
matter in the sub-monolayer range and the characterization of the latter. Special interest will …