N2 chemisorption to Wn− nanoclusters: molecular versus dissociative chemisorption
نویسندگان
چکیده
منابع مشابه
adsorption versus dissociative chemisorption
Ž . Ab initio embedded cluster calculations of water interaction with the TiO 110 surface predict that molecular adsorption 2 is more favorable than dissociative chemisorption. Unlike all previous calculations, this result is in agreement with recent temperature-programmed desorption and modulated beams experiments. Calculated surface relaxation, water adsorption energy and the densities of ele...
متن کاملSix-Dimensional Quantum Dynamics of Dissociative Chemisorption
Six-dimensional quantum dynamics calculations are now possible for fully activated dissociative chemisorption of H 2. We present results for the reaction of (y 0, j 0) H 2 on Cu(100). The potential energy surface was taken from density functional theory (DFT), using the generalized gradient approximation. Comparison to experiment suggests that, on average, the DFT method overestimates the b...
متن کاملIndication of a size-dependent transition from molecular to dissociative chemisorption on clusters
We report experimental indications for a size-dependent change of the chemical nature of chemisorption on small atomic clusters. We studied chemisorption of atomic hydrogen on negatively charged Tin clusters using mass and photoelectron spectroscopy. Our experimental data support the assumption that for clusters with up to four Ti atoms, adsorption of intact H2 molecules is the energetically pr...
متن کاملHydrogen-induced transition from dissociative to molecular chemisorption of CO on vanadium clusters.
We report on the size-dependent interaction of carbon monoxide molecules with hydrogen covered vanadium clusters containing between 5 and 20 atoms. Structural information on these hydrogen covered vanadium clusters and their complexes with CO is obtained from infrared multiple photon dissociation spectroscopy, complemented with density functional theory calculations for the V5 to V9 cluster siz...
متن کاملDissociative chemisorption and energy transfer for methane on Ir(111).
A 3-parameter local hot spot model of gas-surface reactivity is employed to analyze and predict dissociative sticking coefficients for CH(4) incident on Ir(111) under varied nonequilibrium and equilibrium conditions. One Ir surface oscillator and the molecular vibrations, rotations, and translational energy directed along the surface normal are treated as active degrees of freedom in the 14 dim...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2003
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2003.09.034