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Adsorption and Dissociation ofH2on Mg Surfaces
Abstract
A self-consistent calculation of the potential-energy surface for a molecule (${\mathrm{H}}_{2}$) on a metal surface [Mg(0001)] is presented. The following experimentally observable adsorption features are identified and interpreted: (i) an activation barrier for molecular adsorption, (ii) a mobile molecularly chemisorbed state ("precursor state"), (iii) an activation barrier for dissociation (${{E}_{a}}^{d}$), and (iv) a strong dependence of ${{E}_{a}}^{d}$ on the adsorption-site geometry.
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Citations
Cited by
Interaction of hydrogen with solid surfaces
Christmann, K. (1988) · Surface Science Reports · doi:10.1016/0167-5729(88)90009-x · Cited by 1,120
A chemical and theoretical way to look at bonding on surfaces
Hoffmann, R. (1988) · Reviews of Modern Physics · doi:10.1103/revmodphys.60.601 · Cited by 844
Magnesium based materials for hydrogen based energy storage: Past, present and future
Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., et al. (2019) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2018.12.212 · Cited by 770
Pozzo, M., & Alfè, D. (2009) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2008.11.109 · Cited by 428
The dissociation of diatomic molecules at surfaces
Darling, G. R., & Holloway, S. (1995) · Reports on Progress in Physics · doi:10.1088/0034-4885/58/12/001 · Cited by 398
Metadata
- Authors
- Nørskov, J. K., Houmøller, A., Johansson, P. K., & Lundqvist, B. I.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1981-01-26
- Volume
- 46
- Issue
- 4
- Pages
- 257-260
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2324132766
- Cited by
- 235
- References
- 0
- FWCI
- 14.84
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Adsorption and Dissociation ofH2on Mg Surfaces. https://app.cochat.ai/papers/10.1103/physrevlett.46.257
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- Nørskov, J. K., Houmøller, A., Johansson, P. K., & Lundqvist, B. I. (1981). Adsorption and Dissociation ofH2on Mg Surfaces. Physical Review Letters. https://doi.org/10.1103/physrevlett.46.257
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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