Review of plasma catalysis on hydrocarbon reforming for hydrogen production—interaction, integration, and prospects

HL Chen, HM Lee, SH Chen, Y Chao… - Applied Catalysis B …, 2008 - Elsevier
This paper, for the first time, reviews the development of the application of plasma catalysis,
the combination of plasma and thermal catalysis, on hydrocarbon reforming for H2 …

State-resolved probes of methane dissociation dynamics

LBF Juurlink, DR Killelea, AL Utz - Progress in Surface Science, 2009 - Elsevier
A new generation of experimental techniques quantifies the gas–surface reactivity of
polyatomic reactants prepared in a single quantum state. These experiments eliminate …

Development and validation of ReaxFF reactive force field for hydrocarbon chemistry catalyzed by nickel

JE Mueller, ACT Van Duin… - The Journal of Physical …, 2010 - ACS Publications
To enable the study of hydrocarbon reactions catalyzed by nickel surfaces and particles
using reactive molecular dynamics on thousands of atoms as a function of temperature and …

Kinetic aspect of CO2 reforming of CH4 on Ni (1 1 1): a density functional theory calculation

SG Wang, XY Liao, J Hu, DB Cao, YW Li, J Wang… - Surface science, 2007 - Elsevier
Reaction pathways of CO2 reforming of CH4 on Ni (111) were investigated by using density
functional theory calculation. The computed kinetic parameters agree with the available …

CO2 Reforming of CH4 on Ni(111):  A Density Functional Theory Calculation

SG Wang, DB Cao, YW Li, J Wang… - The Journal of Physical …, 2006 - ACS Publications
CO2 reforming of CH4 on Ni (111) was investigated by using density functional theory. On
the basis of thermodynamic analyses, the first step is CH4 sequential dissociation into …

The temperature dependence of methane dissociation on Ni (111) and Pt (111): Mixed quantum-classical studies of the lattice response

AK Tiwari, S Nave, B Jackson - The Journal of chemical physics, 2010 - pubs.aip.org
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 …

Methane dissociation on Ni (1 0 0), Ni (1 1 1), and Ni (5 5 3): a comparative density functional theory study

J Li, E Croiset, L Ricardez-Sandoval - Journal of Molecular Catalysis A …, 2012 - Elsevier
Density functional theory (DFT) calculations were performed to study the dissociation
properties of CH4 on Ni (100), Ni (111), and Ni (553) surfaces. The transition states for …

Comparative Study of Stretch and Bend Vibrations <?format ?>in Methane Activation on Ni(100) and Ni(111)

LBF Juurlink, RR Smith, DR Killelea, AL Utz - Physical review letters, 2005 - APS
State-resolved measurements on clean Ni (100) and Ni (111) surfaces quantify the reactivity
of CH 4 excited to v= 3 of the ν 4 bend vibration. A comparison with prior data reveals that 3 …

Density functional theory study of the partial oxidation of methanol on copper surfaces

S Sakong, A Groß - Journal of Catalysis, 2005 - Elsevier
The partial oxidation of methanol to formaldehyde on clean and oxygen-precovered Cu
(100) and Cu (110) has been studied by density functional theory calculations within the …

Kinetic analysis of the catalyst and nonthermal plasma hybrid reaction for methane steam reforming

T Nozaki, H Tsukijihara, W Fukui, K Okazaki - Energy & Fuels, 2007 - ACS Publications
Bioresources, such as landfill gas and agricultural residues, attract considerable attention
because of growing concerns of global energy and environmental protection. However, the …