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Cited by 337

The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.

Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors

Open access
Zhou, Miao, Lu, Yun-Hao, Cai, Yong-Qing, Zhang, Chun, Feng, Yuan-Ping·2011·Nanotechnology

Abstract

We report an investigation on the adsorption of small gas molecules (O(2), CO, NO(2) and NH(3)) on pristine and various transition metal embedded graphene samples using a first-principles approach based on density-functional theory (DFT). The most stable adsorption geometry, energy, charge transfer, and magnetic moment of these molecules on graphene embedded with different transition metal elements are thoroughly discussed. Our calculations found that embedded transition metal elements in general can significantly enhance the interactions between gas molecules and graphene, and for applications of graphene-based catalysis, Ti and Au may be the best choices among all transition metal elements. We also expect a detailed analysis of the electronic structures and magnetic properties of these systems to shed light on future applications of graphene-based gas sensing and spintronics.

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Crossref · 10.1088/0957-4484/22/38/385502

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Metadata

Authors
Zhou, M., Lu, Y.-H., Cai, Y.-Q., Zhang, C., & Feng, Y.-P.
Venue
Nanotechnology
Published
2011-08-26
Volume
22
Issue
38
Pages
385502
ISSN
  • 0957-4484 (ISSN-L)
  • 1361-6528
OpenAlex
W2095429697
Cited by
337
References
30
FWCI
6.04
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors. https://app.cochat.ai/papers/10.1088/0957-4484/22/38/385502
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Zhou, M., Lu, Y.-H., Cai, Y.-Q., Zhang, C., & Feng, Y.-P. (2011). Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors. Nanotechnology. https://doi.org/10.1088/0957-4484/22/38/385502

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