The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method
Open accessAbstract
We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we predict new stable structures of 2D boron-carbon (B-C) compounds for a wide range of boron concentrations. Our calculations show that: (1) All 2D B-C compounds are metallic except for BC(3) which is a magic case where the isolation of carbon six-membered ring by boron atoms results in a semi-conducting behavior. (2) For C-rich B-C compounds, the most stable 2D structures can be viewed as boron doped graphene structures, where boron atoms typically form 1D zigzag chains except for BC(3) in which boron atoms are uniformly distributed. (3) The most stable 2D structure of BC has alternative carbon and boron ribbons with strong in-between B-C bonds, which possesses a high thermal stability above 2000 K. (4) For B-rich 2D B-C compounds, there is a novel planar-tetracoordinate carbon motif with an approximate C(2)(v) symmetry.
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Cites
Two-dimensional gas of massless Dirac fermions in graphene
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Katsnelson, M. I., Grigorieva, I. V., Dubonos, S. V., & Firsov, A. A. (2005) · Nature · doi:10.1038/nature04233 · Cited by 21,611
Experimental observation of the quantum Hall effect and Berry's phase in graphene
Zhang, Y., Tan, Y.-W., Stormer, H. L., & Kim, P. (2005) · Nature · doi:10.1038/nature04235 · Cited by 13,435
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
Oganov, A. R., & Glass, C. W. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2210932 · Cited by 2,596
Cited by
Two-Dimensional Boron Monolayer Sheets
Wu, X., Dai, J., Zhao, Y., Zhuo, Z., Yang, J., & Zeng, X. C. (2012) · ACS Nano · doi:10.1021/nn302696v · Cited by 890
Self-citationWang, Y., Miao, M., Lv, J., Zhu, L., Yin, K., Liu, H., & Ma, Y. (2012) · The Journal of Chemical Physics · doi:10.1063/1.4769731 · Cited by 332
Self-citationWang, Y., Li, F., Li, Y., & Chen, Z. (2016) · Nature Communications · doi:10.1038/ncomms11488 · Cited by 328
Self-citationPredicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach
Chen, H.-Z., Zhang, Y.-Y., Gong, X., & Xiang, H. (2014) · The Journal of Physical Chemistry C · doi:10.1021/jp411437f · Cited by 40
Self-citation
Metadata
- Authors
- Luo, X., Yang, J., Liu, H., Wu, X., Wang, Y., Ma, Y., Wei, S.-H., Gong, X., & Xiang, H.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-09-19
- Volume
- 133
- Issue
- 40
- Pages
- 16285-16290
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2068505200
- Cited by
- 284
- References
- 3
- FWCI
- 7.90
- Type
- journal article
- Language
- en
- Open access
- green
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