Adsorption, diffusion, and dissociation of NO, N and O on flat and stepped Ru (0001)

B Hammer - Surface science, 2000 - Elsevier
The chemisorption, diffusion and dissociation of nitric oxide, NO, on flat and stepped Ru
(0001) surfaces are investigated using density functional theory. In the Perdew–Wang-91 …

Microreactor modeling for hydrogen production from ammonia decomposition on ruthenium

SR Deshmukh, AB Mhadeshwar… - Industrial & Engineering …, 2004 - ACS Publications
Ammonia decomposition for the production of hydrogen in a newly fabricated, aluminum
framework post microreactor is modeled. A detailed microkinetic model describing the …

The Role of Adsorbate–Adsorbate Interactions in the Rate Controlling Step and the Most Abundant Reaction Intermediate of NH3 Decomposition on Ru

AB Mhadeshwar, JR Kitchin, MA Barteau, DG Vlachos - Catalysis Letters, 2004 - Springer
N–N adsorbate–adsorbate interactions on a Ru (0001) surface are first estimated using
quantum mechanical density functional theory (DFT) calculations, and subsequently …

First-principles insights into ammonia decomposition catalyzed by Ru clusters anchored on carbon nanotubes: size dependence and interfacial effects

S Zhou, S Lin, H Guo - The Journal of Physical Chemistry C, 2018 - ACS Publications
Ammonia decomposition catalyzed by Ru nanoparticles supported on carbon nanotubes
offers an efficient way for CO x-free hydrogen generation. To understand the catalytic …

Coverage dependence of dissociation at an N, O, or H precovered Ru(0001) surface investigated with density functional theory

B Hammer - Physical Review B, 2001 - APS
The coverage dependence of the dissociative N 2 adsorption reaction at a precovered Ru
(0001) surface is investigated by means of density functional theory calculations. The energy …

NH3 decomposition in autothermal microchannel reactors

AB Vakylabad, MA Makarem, Z Moravvej… - Progresses in Ammonia …, 2024 - Elsevier
The focus of this chapter is on the breakdown of ammonia intending to produce hydrogen as
the cleanest source of energy. A review of microreactors and related technical literature is …

dissociative adsorption on Ru(0001): The role of energy loss

L Diekhöner, H Mortensen, A Baurichter… - The Journal of …, 2001 - pubs.aip.org
New molecular beam experiments on the dissociation probability S 0 for N 2 on Ru (0001)
are presented. These are in general agreement with prior measurements and exhibit very …

Indirect evidence for strong nonadiabatic coupling in associative desorption from and dissociative adsorption on Ru(0001)

L Diekhöner, L Hornekær, H Mortensen… - The Journal of …, 2002 - pubs.aip.org
This paper reports the simultaneous internal state and translational energy resolved
associative desorption flux of N 2 from Ru (0001) using two different experimental …

Dynamics of ammonia decomposition on Ru (0001)

H Mortensen, L Diekhöner, A Baurichter… - The Journal of …, 2000 - pubs.aip.org
Using supersonic molecular beam techniques we have investigated the dissociative
adsorption of NH 3 on a Ru (0001) surface. At high incident energies, the dissociation …

Eley-Rideal Reactions with N Atoms at Ru(0001): Formation of NO and

T Zaharia, AW Kleyn, MA Gleeson - Physical Review Letters, 2014 - APS
Forward-directed NO molecules with large translational energies are formed upon exposure
of an O-covered Ru (0001) surface to a nitrogen (N+ N 2) beam. This is an unequivocal …