The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Hallmark of Perfect Graphene
Abstract
Using first-principles calculations we show that the adsorption of atomic hydrogen on graphene opens a substantial gap in the electronic density of states in which lies a spin-polarized gap state. This spin is quenched by the presence of a rotated C-C bond (a Stone-Wales defect) adjacent to or distant from the H atom. We explain these findings and discuss the implications for nanotubes and magnetic nanographene. Furthermore, we demonstrate that the combined effect of high curvature and a Stone-Wales defect makes H2 chemisorption close to being thermodynamically favorable.
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Cites
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
Self-citationHammer, B., Hansen, L. B., & Nørskov, J. K. (1999) · Physical Review B · doi:10.1103/physrevb.59.7413 · Cited by 8,270
Physical Properties of Carbon Nanotubes
Saito, R., Dresselhaus, G., & Dresselhaus, M. S. (1998) · IMPERIAL COLLEGE PRESS eBooks · doi:10.1142/9781860943799 · Cited by 4,808
New one-dimensional conductors: Graphitic microtubules
Hamada, N., Sawada, S.-I., & Oshiyama, A. (1992) · Physical Review Letters · doi:10.1103/physrevlett.68.1579 · Cited by 3,501
Charlier, J.-C. (2002) · Accounts of Chemical Research · doi:10.1021/ar010166k · Cited by 762
Fundamental Electronic Properties and Applications of Single-Walled Carbon Nanotubes
Ouyang, M., Huang, J.-L., & Lieber, C. M. (2002) · Accounts of Chemical Research · doi:10.1021/ar0101685 · Cited by 537
Kusakabe, K., & Maruyama, M. (2003) · Physical Review B · doi:10.1103/physrevb.67.092406 · Cited by 502
In Situ Band Gap Engineering of Carbon Nanotubes
Crespi, V. H., Cohen, M. L., & Rubio, A. (1997) · Physical Review Letters · doi:10.1103/physrevlett.79.2093 · Cited by 283
Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes
Arellano, J. S., Molina, L. M., Rubio, A., López, M. J., & Alonso, J. A. (2002) · The Journal of Chemical Physics · doi:10.1063/1.1488595 · Cited by 206
Cited by
Electronic properties of disordered two-dimensional carbon
Peres, N. M. R., Guinea, F., & Castro Neto, A. H. (2006) · Physical Review B · doi:10.1103/physrevb.73.125411 · Cited by 1,445
Two‐Dimensional Polymers: Just a Dream of Synthetic Chemists?
Sakamoto, J., van Heijst, J., Lukin, O., & Schlüter, A. D. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200801863 · Cited by 734
Topological Frustration in Graphene Nanoflakes: Magnetic Order and Spin Logic Devices
Wang, W. L., Yazyev, O. V., Meng, S., & Kaxiras, E. (2009) · Physical Review Letters · doi:10.1103/physrevlett.102.157201 · Cited by 288
Electronic properties of two-dimensional carbon
Peres, N. M. R., Guinea, F., & Castro Neto, A. H. (2006) · Annals of Physics · doi:10.1016/j.aop.2006.04.006 · Cited by 57
Metadata
- Authors
- Duplock, E. J., Scheffler, M., & Lindan, P. J. D.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2004-06-03
- Volume
- 92
- Issue
- 22
- Pages
- 225502-225502
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1995622101
- Cited by
- 549
- References
- 9
- FWCI
- 8.54
- Type
- journal article
- Language
- en
- Open access
- closed
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- Duplock, E. J., Scheffler, M., & Lindan, P. J. D. (2004). Hallmark of Perfect Graphene. Physical Review Letters. https://doi.org/10.1103/physrevlett.92.225502
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.
