Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

Electronic Energy Dissipation During Scattering of Vibrationally Excited Molecules at Metal Surfaces:Ab initioSimulations forHCl/Al(111)

(2014) Michael Grotemeyer et al.   PHYSICAL REVIEW LETTERS

Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100)

(2014) M. Blanco-Rey et al.   PHYSICAL REVIEW LETTERS

Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment

(2013) L. Sementa et al.   JOURNAL OF CHEMICAL PHYSICS

Electronically Nonadiabatic Processes in the Interaction of H with a Au Surface Revealed Using MIM Junctions: The Temperature Dependence

(2013) Beate Schindler et al.   Journal of Physical Chemistry C

Adiabatic Energy Loss in Hyperthermal H Atom Collisions with Cu and Au: A Basis for Testing the Importance of Nonadiabatic Energy Loss

(2013) Michele Pavanello et al.   Journal of Physical Chemistry Letters

Structure and local reactivity of the Au(111) surface reconstruction

(2013) Felix Hanke et al.   PHYSICAL REVIEW B

Toward Detection of Electron-Hole Pair Excitation in H-atom Collisions with Au(111): Adiabatic Molecular Dynamics with a Semi-Empirical Full-Dimensional Potential Energy Surface

(2013) Svenja M. Janke et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Electronic Excitations in the Course of the Reaction of H with Coinage and Noble Metal Surfaces: A Comparison

(2013) Beate Schindler et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Construction of high-dimensional neural network potentials using environment-dependent atom pairs

(2012) K. V. Jovan Jose et al.   JOURNAL OF CHEMICAL PHYSICS

Towards chemically accurate simulation of molecule–surface reactions

(2012) Geert-Jan Kroes   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter ofD2Reacting on Cu(111)

(2012) Francesco Nattino et al.   PHYSICAL REVIEW LETTERS

Competition between Electron and Phonon Excitations in the Scattering of Nitrogen Atoms and Molecules off Tungsten and Silver Metal Surfaces

(2012) L. Martin-Gondre et al.   PHYSICAL REVIEW LETTERS

H(D) → D(H) + Cu(111) collision system: Molecular dynamics study of surface temperature effects

(2011) Can D. Vurdu et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic excitations induced by hydrogen surface chemical reactions on gold

(2011) Beate Schindler et al.   JOURNAL OF CHEMICAL PHYSICS

Electron–hole pairs during the adsorption dynamics of O2on Pd(100): exciting or not?

(2011) Jörg Meyer et al.   NEW JOURNAL OF PHYSICS

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

H2dissociation on individual Pd atoms deposited on Cu(111)

(2011) M. Ramos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Energy transfer at metal surfaces: the need to go beyond the electronic friction picture

(2011) Christof Bartels et al.   Chemical Science

Ab Initio Molecular Dynamics Simulations of the Adsorption of H2 on Palladium Surfaces

(2010) Axel Groß   CHEMPHYSCHEM

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

(2009) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient translational excitation of a solid metal surface: State-to-state translational energy distributions of vibrational ground state HCl scattering from Au(111)

(2009) Russell Cooper et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Adsorption dynamics of H2 on Pd(100) from first principles

(2009) A. Lozano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab InitioMolecular Dynamics Study of Hot Atom Dynamics after Dissociative Adsorption ofH2on Pd(100)

(2009) Axel Groß   PHYSICAL REVIEW LETTERS

Comment on “Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces”

(2009) A. C. Luntz et al.   PHYSICAL REVIEW LETTERS

Juaristiet al.Reply:

(2009) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Chemistry of fast electrons

(2009) Sergey N. Maximoff et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Capturing the Complexities of Molecule-Surface Interactions

(2009) E. Hasselbrink   SCIENCE

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)

(2009) C. Diaz et al.   SCIENCE

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface

(2009) N. Shenvi et al.   SCIENCE

Evolution of the surface science of catalysis from single crystals to metal nanoparticles under pressure

(2008) Gabor A. Somorjai et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces

(2008) J. I. Juaristi et al.   PHYSICAL REVIEW LETTERS

Energy transfer and chemical dynamics at solid surfaces: The special role of charge transfer

(2008) A WODTKE et al.   PROGRESS IN SURFACE SCIENCE

Frontiers in Surface Scattering Simulations

(2008) G.-J. Kroes   SCIENCE

Inverse Velocity Dependence of Vibrationally Promoted Electron Emission from a Metal Surface

(2008) N. H. Nahler et al.   SCIENCE

Electronic excitation in atomic adsorption on metals: A comparison of ab initio and model calculations

(2008) D.M. Bird et al.   SURFACE SCIENCE

Newns–Anderson model of chemicurrents in H/Cu and H/Ag

(2008) M.S. Mizielinski et al.   SURFACE SCIENCE