The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Structural and electronic properties of bilayer and trilayer graphdiyne
Abstract
Stimulated by the recent experimental synthesis of a new layered carbon allotrope-graphdiyne film, we provide the first systematic ab initio investigation of the structural and electronic properties of bilayer and trilayer graphdiyne and explore the possibility of tuning the energy gap via a homogeneous perpendicular electric field. Our results show that the most stable bilayer and trilayer graphdiyne both have their hexagonal carbon rings stacked in a Bernal way (AB and ABA style configuration, respectively). Bilayer graphdiyne with the most and the second most stable stacking arrangements have direct bandgaps of 0.35 eV and 0.14 eV, respectively; trilayer graphdiyne with stable stacking styles have bandgaps of 0.18-0.33 eV. The bandgaps of the semiconducting bilayer and trilayer graphdiyne generally decrease with increasing external vertical electric field, irrespective of the stacking style. Therefore, the possibility of tuning the electronic structure and optical absorption of bilayer and trilayer graphdiyne with an external electric field is suggested.
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Citations
Cites
Biased Bilayer Graphene: Semiconductor with a Gap Tunable by the Electric Field Effect
Castro, E. V., Novoselov, K. S., Morozov, S. V., Peres, N. M. R., dos Santos, J. M. B. L., Nilsson, J., Guinea, F., Geim, A. K., & Neto, A. H. C. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.216802 · Cited by 2,033
Kroto, H. W., Allaf, A. W., & Balm, S. P. (1991) · Chemical Reviews · doi:10.1021/cr00006a005 · Cited by 1,088
Cited by
Graphdiyne and graphyne: from theoretical predictions to practical construction
Li, Y., Xu, L., Liu, H., & Li, Y. (2014) · Chemical Society Reviews · doi:10.1039/c3cs60388a · Cited by 1,162
Synthesis of Graphdiyne Nanowalls Using Acetylenic Coupling Reaction
Zhou, J., Gao, X., Liu, R., Xie, Z., Yang, J., Zhang, S., Zhang, G., Liu, H., Li, Y., Zhang, J., et al. (2015) · Journal of the American Chemical Society · doi:10.1021/jacs.5b04057 · Cited by 599
Synthesis and Properties of 2D Carbon—Graphdiyne
Jia, Z., Li, Y., Zuo, Z., Liu, H., Huang, C., & Li, Y. (2017) · Accounts of Chemical Research · doi:10.1021/acs.accounts.7b00205 · Cited by 565
2D graphdiyne: An emerging carbon material
Fang, Y., Liu, Y., Qi, L., Xue, Y., & Li, Y. (2022) · Chemical Society Reviews · doi:10.1039/d1cs00592h · Cited by 520
Two-Dimensional Carbon Graphdiyne: Advances in Fundamental and Application Research
Zheng, X., Chen, S., Li, J., Wu, H., Zhang, C., Zhang, D., Chen, X., Gao, Y., He, F., Hui, L., et al. (2023) · ACS Nano · doi:10.1021/acsnano.3c03849 · Cited by 283
Metadata
- Authors
- Zheng, Q., Luo, G., Liu, Q., Quhe, R., Zheng, J., Tang, K., Gao, Z., Nagase, S., & Lu, J.
- Venue
- Nanoscale
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2012
- Volume
- 4
- Issue
- 13
- Pages
- 3990
- ISSN
- 2040-3364 (ISSN-L)
- 2040-3372
- OpenAlex
- W2102688528
- Cited by
- 205
- References
- 2
- FWCI
- 3.48
- Type
- journal article
- Language
- en
- Open access
- closed
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