The DOI matches its Crossref record; 62 of the 62 references it cites were found in a registry or an index.
Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates
Open accessAbstract
Adsorption is essential for many processes on surfaces; therefore, an accurate prediction of adsorption properties is demanded from both fundamental and technological points of view. Particularly, identifying the intrinsic determinants of adsorption energy has been a long-term goal in surface science. Herein, we propose a predictive model for quantitative determination of the adsorption energies of small molecules on metallic materials and oxides, by using a linear combination of the valence and electronegativity of surface atoms and the coordination of active sites, with the corresponding prefactors determined by the valence of adsorbates. This model quantifies the effect of the intrinsic properties of adsorbates and substrates on adsorbate–substrate bonding, derives naturally the well-known adsorption-energy scaling relations, and accounts for the efficiency and limitation of engineering the adsorption energy and reaction energy. All involved parameters are predictable and thus allow the rapid rational design of materials with optimal adsorption properties.
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
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Vanderbilt, D. (1990) · Physical Review B · doi:10.1103/physrevb.41.7892 · Cited by 23,185
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
First-principles simulation: ideas, illustrations and the CASTEP code
Segall, M. D., Lindan, P. J. D., Probert, M. J., Pickard, C. J., Hasnip, P. J., Clark, S. J., & Payne, M. C. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/11/301 · Cited by 11,853
Towards the computational design of solid catalysts
Nørskov, J. K., Bligaard, T., Rossmeisl, J., & Christensen, C. H. (2009) · Nature Chemistry · doi:10.1038/nchem.121 · Cited by 4,161
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
Why gold is the noblest of all the metals
Hammer, B., & Norskov, J. K. (1995) · Nature · doi:10.1038/376238a0 · Cited by 3,935
Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203
Electronic factors determining the reactivity of metal surfaces
Hammer, B., & Nørskov, J. K. (1995) · Surface Science · doi:10.1016/0039-6028(96)80007-0 · Cited by 2,871
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
Bligaard, T., Nørskov, J. K., Dahl, S., Matthiesen, J., Christensen, C. H., & Sehested, J. (2004) · Journal of Catalysis · doi:10.1016/j.jcat.2004.02.034 · Cited by 1,713
Cited by
Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction
Sun, F., Tang, Q., & Jiang, D.-E. (2022) · ACS Catalysis · doi:10.1021/acscatal.2c02081 · Cited by 285
Metadata
- Authors
- Gao, W., Chen, Y., Li, B., Liu, S.-P., Liu, X., & Jiang, Q.
- Venue
- Nature Communications
- Published
- 2020-03-05
- Volume
- 11
- Issue
- 1
- Pages
- 1196-1196
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W3009529000
- Cited by
- 322
- References
- 62
- FWCI
- 14.30
- Type
- journal article
- Language
- en
- Open access
- gold
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: Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates. https://app.cochat.ai/papers/10.1038/s41467-020-14969-8
- The paper
- Gao, W., Chen, Y., Li, B., Liu, S.-P., Liu, X., & Jiang, Q. (2020). Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates. Nature Communications. https://doi.org/10.1038/s41467-020-14969-8
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.
