The DOI matches its Crossref record; 52 of the 52 references it cites were found in a registry or an index.
First-principles design of a single-atom–alloy propane dehydrogenation catalyst
Abstract
Rhodium atoms for alkane dehydrogenation: Nanoparticles of rhodium dispersed on metal oxides are generally poor catalysts for alkane dehydrogenation because the reactants bind too strongly to the metal. Hannagan et al. performed first-principle calculations indicating that single rhodium atoms in a copper surface should be stable and selective for conversion of propane to propene and hydrogen. Model studies of single rhodium atoms embedded in a copper (111) surface revealed a very high selectivity to propene and high resistance to the formation of surface carbon that would deactivate the catalyst. Science , abg8389, this issue p. 1444
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
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Ab initio molecular dynamics for liquid metals
Kresse, G., & Hafner, J. (1993) · Physical Review B · doi:10.1103/physrevb.47.558 · Cited by 45,727
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Henkelman, G., Uberuaga, B. P., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1329672 · Cited by 21,620
ATHENA,ARTEMIS,HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT
Ravel, B., & Newville, M. (2005) · Journal of Synchrotron Radiation · doi:10.1107/s0909049505012719 · Cited by 16,965
Single-atom catalysis of CO oxidation using Pt1/FeOx
Qiao, B., Wang, A., Yang, X., Allard, L. F., Jiang, Z., Cui, Y., Liu, J., Li, J., & Zhang, T. (2011) · Nature Chemistry · doi:10.1038/nchem.1095 · Cited by 7,526
Van der Waals Density Functional for General Geometries
Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,622
Metadata
- Authors
- Hannagan, R. T., Giannakakis, G., Réocreux, R., Schumann, J., Finzel, J., Wang, Y., Michaelides, A., Deshlahra, P., Christopher, P., Flytzani-Stephanopoulos, M., Stamatakis, M., & Sykes, E. C. H.
- Venue
- Science
- Published
- 2021-06-25
- Volume
- 372
- Issue
- 6549
- Pages
- 1444-1447
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W3176191040
- Cited by
- 380
- References
- 52
- FWCI
- 11.90
- Type
- journal article
- Language
- en
- Open access
- closed
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: First-principles design of a single-atom–alloy propane dehydrogenation catalyst. https://app.cochat.ai/papers/10.1126/science.abg8389
- The paper
- Hannagan, R. T., Giannakakis, G., Réocreux, R., Schumann, J., Finzel, J., Wang, Y., Michaelides, A., Deshlahra, P., Christopher, P., Flytzani-Stephanopoulos, M., Stamatakis, M., & Sykes, E. C. H. (2021). First-principles design of a single-atom–alloy propane dehydrogenation catalyst. Science. https://doi.org/10.1126/science.abg8389
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.
