Theory of photoinduced surface reactions of admolecules

H Guo, P Saalfrank, T Seideman - Progress in surface science, 1999 - Elsevier
The absorption of photons by an adsorbate/substrate complex may induce a wide range of
physical and chemical processes, such as desorption, dissociation and reactions. Although …

Ultrathin magnesia films as support for molecules and metal clusters: Tuning reactivity by thickness and composition

ME Vaida, TM Bernhardt, C Barth, F Esch… - … status solidi (b), 2010 - Wiley Online Library
Ultrathin metal oxide films have attracted considerable interest in recent years as versatile
substrate for the design of nanocatalytic model systems. In particular, it has been proposed …

Femtosecond real-time probing of transition state dynamics in a surface photoreaction: Methyl desorption from CH3I on MgO (100)

ME Vaida, PE Hindelang, TM Bernhardt - The Journal of chemical …, 2008 - pubs.aip.org
A novel experimental approach to the investigation of surface adsorbate reaction dynamics
is presented. The direct time-resolved monitoring of the surface reaction transition state and …

Mixed quantum/classical simulation of the photolysis of HCl on MgO (001)

M Hintenender, F Rebentrost, R Kosloff… - The Journal of chemical …, 1996 - pubs.aip.org
Quantum and mixed quantum/classical calculations of the photolysis of a HCl adsorbate on
a MgO surface are reported. In the quantum calculation of the hydrogen dynamics (with rigid …

Photoinitiated Reaction Dynamics between Aligned Adsorbates on Solid Surfaces:  A Theoretical Exploration of the H + CO2 System on LiF(001)

JV Setzler, H Guo, GC Schatz - The Journal of Physical Chemistry …, 1997 - ACS Publications
We report a quasi-classical trajectory study of a chemical reaction between H and CO2 at
the LiF (001) surface. The reaction is initiated by photodissociation of well-aligned HBr (ad) …

A further theoretical exploration of the surface-aligned photo-initiated H+ CO2 reaction: Surface motion and temperature dependence

JV Setzler, J Bechtel, H Guo, GC Schatz - The Journal of chemical …, 1997 - pubs.aip.org
The idea of using a solid surface to enhance chemical reaction yield or to alter the reaction
pathway is not new. Catalytic reactions on solid surfaces have been used extensively in …

Extended BEG model of monhalogenated methanes physisorbed on ionic crystals

TE Burns, JR Dennison, J Kite - Surface science, 2004 - Elsevier
The 2D dielectric phases and phase transitions of adsorbed dipolar molecules are modeled
using a dilute spin-one Ising model. This model is studied in the Blume–Emery–Griffiths …

Surface-aligned femtochemistry: Molecular reaction dynamics on oxide surfaces

ME Vaida, TM Bernhardt - Ultrafast Phenomena in Molecular Sciences …, 2014 - Springer
In this contribution the application of ultrafast laser pulses to reveal the dynamics of chemical
reactions on metal oxide surfaces will be discussed. A combination of an optical pump …

A novel technique to monitor ultrafast photoinduced chemical reaction dynamics at surfaces: the femtochemistry of methyl halide molecules adsorbed on oxides …

ME Vaida - 2010 - oparu.uni-ulm.de
The aim of this thesis was to monitor the dynamics of chemical reactions of molecules
adsorbed on solid surfaces in real-time by direct detection of reaction intermediates and …

3.9.12 RuO2 - 3.9.18 Tables of selected adsorbate properties: 3.9 Adsorption on oxides; 3 Data: Adsorbate properties

HJ Freund, H Kuhlenbeck - Adsorbed Layers on Surfaces. Part 5 …, 2006 - Springer
This document is part of Part 5'Adsorption of molecules on metal, semiconductor and oxide
surfaces' of Subvolume A'Adsorbate Layers on Surfaces' of Volume 42'Physics of Covered …