Adsorption dynamics of molecular nitrogen at an Fe(111) surface
- 10 February 2017
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 19 (10) , 7370-7379
Abstract
We present an extensive theoretical study of N2 adsorption mechanisms on an Fe(111) surface.Keywords
This publication has 50 references indexed in Scilit:
- Dissociative and non-dissociative adsorption dynamics of N2 on Fe(110)Physical Chemistry Chemical Physics, 2012
- Hydrogenation of N over Fe{111}Proceedings of the National Academy of Sciences, 2010
- Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles CalculationsThe Journal of Physical Chemistry B, 2006
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Ab initioquantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100)Physical Review B, 1998
- Role of Surface Temperature in the Precursor-Mediated Dissociative Chemisorption ofon W(100)Physical Review Letters, 1988
- Effect of vibrational energy on the dissociative chemisorption of N2 on Fe(111)The Journal of Chemical Physics, 1987
- Total-energy calculations fordissociation on Fe(111): Characterization of precursor and dissociative statesPhysical Review B, 1985
- Dynamics of gas–surface interactions: 3D generalized Langevin model applied to fcc and bcc surfacesThe Journal of Chemical Physics, 1980
- Special points for Brillouin-zone integrationsPhysical Review B, 1976