The DOI matches its Crossref record; 33 of the 33 references it cites were found in a registry or an index.
Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment
Abstract
We report the electronic structure and optical properties of the recently synthesized stable two-dimensional carbon allotrope graphdiyne based on first-principles calculations and experimental optical spectrum. Due to the enhanced Coulomb interaction in reduced dimensionality, the band gap of graphdiyne increases to 1.10 eV within the $GW$ many-body theory from a value of 0.44 eV within the density functional theory. The optical absorption is dominated by excitonic effects with a remarkable electron-hole binding energy of over 0.55 eV within the $GW$--Bethe-Salpeter equation calculation. Experimental optical absorption of graphdiyne films is performed, and comparison with the theoretical calculations is analyzed in detail.
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Cites
Electric Field Effect in Atomically Thin Carbon Films
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Efficient pseudopotentials for plane-wave calculations
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Atomically Thin MoS 2 : A New Direct-Gap Semiconductor
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Electronic excitations: density-functional versus many-body Green’s-function approaches
Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
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Architecture of graphdiyne nanoscale films
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Self-citationSubstrate-induced bandgap opening in epitaxial graphene
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Electron-hole excitations and optical spectra from first principles
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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
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Metadata
- Authors
- Luo, G., Qian, X., Liu, H., Qin, R., Zhou, J., Li, L., Gao, Z., Wang, E., Mei, W.-N., Lu, J., Li, Y., & Nagase, S.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-08-08
- Volume
- 84
- Issue
- 7
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2064104693
- Cited by
- 373
- References
- 33
- FWCI
- 8.99
- Type
- journal article
- Language
- en
- Open access
- closed
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- Luo, G., Qian, X., Liu, H., Qin, R., Zhou, J., Li, L., Gao, Z., Wang, E., Mei, W.-N., Lu, J., Li, Y., & Nagase, S. (2011). Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment. Physical Review B. https://doi.org/10.1103/physrevb.84.075439
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