Oliver R. Inderwildi
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Oliver R. Inderwildi has a total of 3 co-authors. Here are the top co-authors by number of shared publications:
Dirk Lebiedz
Interdisciplinary Centre for Scientific Computing of the University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany, Fax: (+49) 6221-54-8884
3 shared publicationsJürgen Warnatz
Interdisciplinary Centre for Scientific Computing of the University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany, Fax: (+49) 6221-54-8884
3 shared publications- Olaf Deutschmann
Karlsruhe Institute of Technology
2 shared publications
Latest Publications
- 6 December 2005
- Published by Wiley in Chemphyschem
- Vol. 6 (12) , 2513-2521
Influence of Coadsorbates on the NO Dissociation on a Rhodium(311) Surface
Density functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence of coadsorbates on the kinetic parameters and thermochemistry of the NO dissociation on Rh(311) was studied. In addition, the activation energy and thermochemistry of this reaction were determined as a function of oxygen preoccupation/initial coverage. Steric and electronic effects and their influence on the dissociation reaction were examined. The results are discussed in the face of an NOx dissociation catalyst system proposed by Nakatsuji.
- 6 December 2005
- Published by Wiley in Chemphyschem
- Vol. 6 (12) , 2513-2521
Influence of Coadsorbates on the NO Dissociation on a Rhodium(311) Surface
Density functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence of coadsorbates on the kinetic parameters and thermochemistry of the NO dissociation on Rh(311) was studied. In addition, the activation energy and thermochemistry of this reaction were determined as a function of oxygen preoccupation/initial coverage. Steric and electronic effects and their influence on the dissociation reaction were examined. The results are discussed in the face of an NOx dissociation catalyst system proposed by Nakatsuji.
- 1 June 2005
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 7 (13) , 2552-2553
Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces
Evidence of a relationship between activation energies and enthalpy changes of various dissociation reactions on transition metals has been reported recently. A reconsideration of density functional theory results for dissociation energies of oxygen and NO on different rhodium surfaces (low-index and stepped) and their dependencies on oxygen precoverage reveal that also here a linear Brønsted–Evans–Polanyi (BEP) relationship exists. The establishment of such a general concept would be of tremendous importance for the development of detailed, elementary-step reaction mechanisms, because the activation energies of reaction steps as well as their coverage dependencies could be estimated based on the adsorption energies calculated by means of DFT.
- 1 June 2005
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 7 (13) , 2552-2553
Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces
Evidence of a relationship between activation energies and enthalpy changes of various dissociation reactions on transition metals has been reported recently. A reconsideration of density functional theory results for dissociation energies of oxygen and NO on different rhodium surfaces (low-index and stepped) and their dependencies on oxygen precoverage reveal that also here a linear Brønsted–Evans–Polanyi (BEP) relationship exists. The establishment of such a general concept would be of tremendous importance for the development of detailed, elementary-step reaction mechanisms, because the activation energies of reaction steps as well as their coverage dependencies could be estimated based on the adsorption energies calculated by means of DFT.
- 15 April 2005
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 122 (15) , 154702
Influence of initial oxygen coverage and magnetic moment on the NO decomposition on rhodium (111)
In this study, density functional theory calculations were performed to investigate the influence of oxygen preoccupation on the nitrogen oxide decomposition on rhodium. Besides gauging the coverage dependence of the adsorption energy of NO on the (111) rhodium facet, the influence of the initial oxygen coverage on the kinetics and thermodynamics of the nitrogen oxide decomposition reaction was also studied. The results are discussed with respect to a novel NOx decomposition catalyst. Furthermore, the influence of spin effects on the adsorption geometry as well as the adsorption energy is examined. It will be addressed why spin effects only have a minor influence on the behavior of NO on a rhodium surface.
- 15 April 2005
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 122 (15) , 154702
Influence of initial oxygen coverage and magnetic moment on the NO decomposition on rhodium (111)
In this study, density functional theory calculations were performed to investigate the influence of oxygen preoccupation on the nitrogen oxide decomposition on rhodium. Besides gauging the coverage dependence of the adsorption energy of NO on the (111) rhodium facet, the influence of the initial oxygen coverage on the kinetics and thermodynamics of the nitrogen oxide decomposition reaction was also studied. The results are discussed with respect to a novel NOx decomposition catalyst. Furthermore, the influence of spin effects on the adsorption geometry as well as the adsorption energy is examined. It will be addressed why spin effects only have a minor influence on the behavior of NO on a rhodium surface.