SIX-DIMENSIONAL DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF H2 ON METAL SURFACES
GJAN KROES, MF SOMERS - Journal of Theoretical and …, 2005 - World Scientific
The theory of time-dependent quantum dynamics of dissociative chemisorption of hydrogen
on metal surfaces is reviewed, in the framework of electronically adiabatic scattering from …
on metal surfaces is reviewed, in the framework of electronically adiabatic scattering from …
Preference for vibrational over translational energy in a gas-surface reaction
State-resolved gas-surface reactivity measurements revealed that vibrational excitation of ν3
(the antisymmetric CH stretch) activates methane dissociation more efficiently than does …
(the antisymmetric CH stretch) activates methane dissociation more efficiently than does …
Vibrational mode-specific reaction of methane on a nickel surface
The dissociation of methane on a nickel catalyst is a key step in steam reforming of natural
gas for hydrogen production. Despite substantial effort in both experiment and theory, there …
gas for hydrogen production. Despite substantial effort in both experiment and theory, there …
Pulsed dry methane reforming in plasma-enhanced catalytic reaction
S Kameshima, K Tamura, Y Ishibashi, T Nozaki - Catalysis Today, 2015 - Elsevier
Pulsed dry methane reforming (DMR) in dielectric barrier discharge (DBD) and 12 wt.% Ni/Al
2 O 3 catalyst hybrid reaction was investigated, aiming for efficient conversion of …
2 O 3 catalyst hybrid reaction was investigated, aiming for efficient conversion of …
Dissociative chemisorption of methane on Ni and Pt surfaces: mode-specific chemistry and the effects of lattice motion
The dissociative chemisorption of methane on metal surfaces is of great practical and
fundamental interest. Not only is it the rate-limiting step in the steam re-forming of natural …
fundamental interest. Not only is it the rate-limiting step in the steam re-forming of natural …
State-Resolved Gas-Surface Reactivity of Methane<? format?> in the Symmetric CH Stretch Vibration on Ni (100)
The state-resolved reactivity of CH 4 in its totally symmetric CH stretch vibration (ν 1) has
been measured on a Ni (100) surface. Methane molecules were accelerated to kinetic …
been measured on a Ni (100) surface. Methane molecules were accelerated to kinetic …
The temperature dependence of methane dissociation on Ni (111) and Pt (111): Mixed quantum-classical studies of the lattice response
The barrier to the dissociative adsorption of methane on metal surfaces is generally large,
and its height can vary with the motion of the lattice atoms. One fully quantum and three …
and its height can vary with the motion of the lattice atoms. One fully quantum and three …
The dissociative chemisorption of methane on Ni (100): Reaction path description of mode-selective chemistry
B Jackson, S Nave - The Journal of chemical physics, 2011 - pubs.aip.org
We derive a model for the dissociative chemisorption of methane on a Ni (100) surface,
based on the reaction path Hamiltonian, that includes all 15 molecular degrees of freedom …
based on the reaction path Hamiltonian, that includes all 15 molecular degrees of freedom …
Energetics and dynamics of CH4 and H2O dissociation on metal surfaces
Dissociative chemisorption is one of the most significant steps in heterogeneous catalysis.
The rate-limiting step for industrially important processes such as water gas-shift reaction …
The rate-limiting step for industrially important processes such as water gas-shift reaction …
Benchmark results for hydrogen atom transfer between carbon centers and validation of electronic structure methods for bond energies and barrier heights
A Dybala-Defratyka, P Paneth, J Pu… - The Journal of Physical …, 2004 - ACS Publications
First we report benchmark high-level calculations for the barrier heights of five degenerate
and nearly degenerate rearrangements (CH3•+ CH4 or C2H6, C2H5•+ CH4 or C2H6, and n …
and nearly degenerate rearrangements (CH3•+ CH4 or C2H6, C2H5•+ CH4 or C2H6, and n …