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Cited by 273

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

Adsorption and diffusion of water on graphene from first principles

Ma, Jie, Michaelides, Angelos, Alfè, Dario, Schimka, Laurids, Kresse, Georg, Wang, Enge·2011·Physical Review B

Abstract

Water monomer adsorption on graphene is examined with state-of-the-art electronic structure approaches. The adsorption energy determinations on this system from quantum Monte Carlo and the random-phase approximation yield small values of 100 meV. These benchmarks provide a deeper understanding of the reactivity of graphene that may underpin the development of improved more approximate methods enabling the accurate treatment of more complex processes at wet-carbon interfaces. As an example, we show how dispersion-corrected density functional theory, which we show gives a satisfactory description of this adsorption system, predicts that water undergoes ultra-fast diffusion on graphene at low temperatures.

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Crossref · 10.1103/physrevb.84.033402

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Metadata

Authors
Ma, J., Michaelides, A., Alfè, D., Schimka, L., Kresse, G., & Wang, E.
Venue
Physical Review B
Published
2011-07-01
Volume
84
Issue
3
ISSN
  • 1098-0121 (ISSN-L)
  • 1550-235X
OpenAlex
W1990891738
Cited by
273
References
1
FWCI
9.61
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Adsorption and diffusion of water on graphene from first principles. https://app.cochat.ai/papers/10.1103/physrevb.84.033402
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Ma, J., Michaelides, A., Alfè, D., Schimka, L., Kresse, G., & Wang, E. (2011). Adsorption and diffusion of water on graphene from first principles. Physical Review B. https://doi.org/10.1103/physrevb.84.033402

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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.