The DOI matches its Crossref record; 68 of the 68 references it cites were found in a registry or an index.
Reactions at surfaces studied by ab initio dynamics calculations
Open accessAbstract
Abstract Owing to the development of efficient algorithms and the improvement of computer power it is now possible to map out potential energy surfaces (PESs) of reactions at surfaces in great detail. This achievement has been accompanied by an increased effort in the dynamical simulation of processes on surfaces. The paradigm for simple reactions at surfaces — the dissociation of hydrogen on metal surfaces — can now be treated fully quantum dynamically in the molecular degrees of freedom from first principles, i.e., without invoking any adjustable parameters. This relatively new field of ab initio dynamics simulations of reactions at surfaces will be reviewed. Mainly the dissociation of hydrogen on clean and adsorbate covered metal surfaces and on semiconductor surfaces will be discussed. In addition, the ab initio molecular dynamics treatment of reactions of hydrogen atoms with hydrogen-passivated semiconductor surfaces and recent achievements in the ab initio description of laser-induced desorption and further developments will be addressed.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Density-functional exchange-energy approximation with correct asymptotic behavior
Becke, A. D. (1988) · Physical Review A · doi:10.1103/physreva.38.3098 · Cited by 53,711
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1992) · Physical Review B · doi:10.1103/physrevb.46.6671 · Cited by 22,269
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1993) · Physical Review B · doi:10.1103/physrevb.48.4978.2 · Cited by 17,144
Savitzky-Golay Smoothing Filters
Press, W. H., & Teukolsky, S. A. (1990) · Computers in Physics · doi:10.1063/1.4822961 · Cited by 11,670
Unified Approach for Molecular Dynamics and Density-Functional Theory
Car, R., & Parrinello, M. (1985) · Physical Review Letters · doi:10.1103/physrevlett.55.2471 · Cited by 10,754
Dynamical Theory of Crystal Lattices
Born, M., Huang, K., & Lax, M. (1955) · American Journal of Physics · doi:10.1119/1.1934059 · Cited by 10,501
Cited by
Theoretical surface science and catalysis—calculations and concepts
Hammer, B., & Nørskov, J. K. (2000) · Advances in Catalysis · doi:10.1016/s0360-0564(02)45013-4 · Cited by 3,972
Levine, R. D. (2005) · Cambridge University Press eBooks · doi:10.1017/cbo9780511614125 · Cited by 709
Jiang, B., Li, J., & Guo, H. (2016) · International Reviews in Physical Chemistry · doi:10.1080/0144235x.2016.1200347 · Cited by 401
Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research
Hafner, J., Wolverton, C., & Ceder, G. (2006) · MRS Bulletin · doi:10.1557/mrs2006.174 · Cited by 369
Microscopic Simulations of Electrochemical Double-Layer Capacitors
Jeanmairet, G., Rotenberg, B., & Salanne, M. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00925 · Cited by 303
Metadata
- Authors
- Groß, A.
- Venue
- Surface Science Reports
- Publisher
- Elsevier BV
- Published
- 1998-01
- Volume
- 32
- Issue
- 8
- Pages
- 291-340
- ISSN
- 0167-5729 (ISSN-L)
- OpenAlex
- W2164142691
- Cited by
- 353
- References
- 68
- FWCI
- 12.02
- Type
- journal article
- Language
- en
- Open access
- green
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Reactions at surfaces studied by ab initio dynamics calculations. https://app.cochat.ai/papers/10.1016/s0167-5729(98)00008-9
- The paper
- Groß, A. (1998). Reactions at surfaces studied by ab initio dynamics calculations. Surface Science Reports. https://doi.org/10.1016/s0167-5729(98)00008-9
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
