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Volumn 117, Issue 25, 2013, Pages 13072-13079

Structural, electronic, and optical properties of bulk graphdiyne

Author keywords

[No Author keywords available]

Indexed keywords

BULK STRUCTURE; CARBON ALLOTROPES; DENSITY FUNCTIONALS; ENERGY RANGES; GRAPHDIYNE; OPTICAL EXPERIMENTS; STACKING CONFIGURATIONS; VAN DER WAALS;

EID: 84879636913     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402218k     Document Type: Article
Times cited : (112)

References (31)
  • 1
    • 78650474226 scopus 로고    scopus 로고
    • Aggregate Nanostructures of Organic Molecular Materials
    • Liu, H. B.; Xu, J. L.; Li, Y. J.; Li, Y. L. Aggregate Nanostructures of Organic Molecular Materials Acc. Chem. Res. 2010, 43, 1496-1508
    • (2010) Acc. Chem. Res. , vol.43 , pp. 1496-1508
    • Liu, H.B.1    Xu, J.L.2    Li, Y.J.3    Li, Y.L.4
  • 4
    • 84863895017 scopus 로고    scopus 로고
    • Selective Hydrogen Purification through Graphdiyne under Ambient Temperature and Pressure
    • Cranford, S. W.; Buehler, M. J. Selective Hydrogen Purification through Graphdiyne under Ambient Temperature and Pressure Nanoscale 2012, 4, 4587-4593
    • (2012) Nanoscale , vol.4 , pp. 4587-4593
    • Cranford, S.W.1    Buehler, M.J.2
  • 5
    • 80052398370 scopus 로고    scopus 로고
    • Quasiparticle Energies and Excitonic Effects of the Two-Dimensional Carbon Allotrope Graphdiyne: Theory and Experiment
    • Luo, G. F.; Qian, X. M.; Liu, H. B.; Qin, R.; Zhou, J.; Li, L. Z.; Gao, Z. X.; Wang, E. G.; Mei, W. N.; Lu, J. Quasiparticle Energies and Excitonic Effects of the Two-Dimensional Carbon Allotrope Graphdiyne: Theory and Experiment Phys. Rev. B 2011, 84, 075439
    • (2011) Phys. Rev. B , vol.84 , pp. 075439
    • Luo, G.F.1    Qian, X.M.2    Liu, H.B.3    Qin, R.4    Zhou, J.5    Li, L.Z.6    Gao, Z.X.7    Wang, E.G.8    Mei, W.N.9    Lu, J.10
  • 6
    • 79955457043 scopus 로고    scopus 로고
    • Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
    • Long, M. Q.; Tang, L.; Wang, D.; Li, Y. L.; Shuai, Z. G. Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions ACS Nano 2011, 5, 2593-2600
    • (2011) ACS Nano , vol.5 , pp. 2593-2600
    • Long, M.Q.1    Tang, L.2    Wang, D.3    Li, Y.L.4    Shuai, Z.G.5
  • 7
    • 79955700317 scopus 로고    scopus 로고
    • Graphyne- and Graphdiyne-Based Nanoribbons: Density Functional Theory Calculations of Electronic Structures
    • Pan, L. D.; Zhang, L. Z.; Song, B. Q.; Du, S. X.; Gao, H. J. Graphyne- and Graphdiyne-Based Nanoribbons: Density Functional Theory Calculations of Electronic Structures Appl. Phys. Lett. 2011, 98, 173102
    • (2011) Appl. Phys. Lett. , vol.98 , pp. 173102
    • Pan, L.D.1    Zhang, L.Z.2    Song, B.Q.3    Du, S.X.4    Gao, H.J.5
  • 8
    • 79955570624 scopus 로고    scopus 로고
    • High Mobility and High Storage Capacity of Lithium in Sp-Sp(2) Hybridized Carbon Network: The Case of Graphyne
    • Zhang, H. Y.; Zhao, M. W.; He, X. J.; Wang, Z. H.; Zhang, X. J.; Liu, X. D. High Mobility and High Storage Capacity of Lithium in Sp-Sp(2) Hybridized Carbon Network: The Case of Graphyne J. Phys. Chem. C 2011, 115, 8845-8850
    • (2011) J. Phys. Chem. C , vol.115 , pp. 8845-8850
    • Zhang, H.Y.1    Zhao, M.W.2    He, X.J.3    Wang, Z.H.4    Zhang, X.J.5    Liu, X.D.6
  • 10
    • 84857527175 scopus 로고    scopus 로고
    • Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones
    • Malko, D.; Neiss, C.; Vines, F.; Gorling, A. Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones Phys. Rev. Lett. 2012, 108, 086804
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 086804
    • Malko, D.1    Neiss, C.2    Vines, F.3    Gorling, A.4
  • 11
    • 34249889935 scopus 로고    scopus 로고
    • Raman Spectroscopy of Graphene and Graphite: Disorder, Electron-Phonon Coupling, Doping and Nonadiabatic Effects
    • Ferrari, A. C. Raman Spectroscopy of Graphene and Graphite: Disorder, Electron-Phonon Coupling, Doping and Nonadiabatic Effects Solid State Commun. 2007, 143, 47-57
    • (2007) Solid State Commun. , vol.143 , pp. 47-57
    • Ferrari, A.C.1
  • 15
    • 70350521607 scopus 로고    scopus 로고
    • Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene
    • Yang, L.; Deslippe, J.; Park, C.-H.; Cohen, M. L.; Louie, S. G. Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene Phys. Rev. Lett. 2009, 103, 186802
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 186802
    • Yang, L.1    Deslippe, J.2    Park, C.-H.3    Cohen, M.L.4    Louie, S.G.5
  • 19
    • 79960645403 scopus 로고    scopus 로고
    • Van der Waals Density Functionals Applied to Solids
    • Klimes, J.; Bowler, D. R.; Michaelides, A. Van Der Waals Density Functionals Applied to Solids Phys. Rev. B 2011, 83, 195131
    • (2011) Phys. Rev. B , vol.83 , pp. 195131
    • Klimes, J.1    Bowler, D.R.2    Michaelides, A.3
  • 20
    • 79952359846 scopus 로고    scopus 로고
    • Methane Adsorption on Graphene from First Principles Including Dispersion Interaction
    • Thierfelder, C.; Witte, M.; Blankenburg, S.; Rauls, E.; Schmidt, W. G. Methane Adsorption on Graphene from First Principles Including Dispersion Interaction Surf. Sci. 2011, 605, 746-749
    • (2011) Surf. Sci. , vol.605 , pp. 746-749
    • Thierfelder, C.1    Witte, M.2    Blankenburg, S.3    Rauls, E.4    Schmidt, W.G.5
  • 22
    • 70450064260 scopus 로고    scopus 로고
    • Nature and Strength of Interlayer Binding in Graphite
    • Spanu, L.; Sorella, S.; Galli, G. Nature and Strength of Interlayer Binding in Graphite Phys. Rev. Lett. 2009, 103, 196401
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 196401
    • Spanu, L.1    Sorella, S.2    Galli, G.3
  • 23
    • 78149314542 scopus 로고    scopus 로고
    • Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
    • Lebegue, S.; Harl, J.; Gould, T.; Angyan, J. G.; Kresse, G.; Dobson, J. F. Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation Phys. Rev. Lett. 2010, 105, 196401
    • (2010) Phys. Rev. Lett. , vol.105 , pp. 196401
    • Lebegue, S.1    Harl, J.2    Gould, T.3    Angyan, J.G.4    Kresse, G.5    Dobson, J.F.6
  • 24
    • 0000521551 scopus 로고
    • Energy of Cohesion, Compressibility, and the Potential Energy Functions of the Graphite System
    • Girifalco, L. A.; Lad, R. A. Energy of Cohesion, Compressibility, and the Potential Energy Functions of the Graphite System J. Chem. Phys. 1956, 25, 693-697
    • (1956) J. Chem. Phys. , vol.25 , pp. 693-697
    • Girifalco, L.A.1    Lad, R.A.2
  • 26
    • 42749102313 scopus 로고    scopus 로고
    • Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons
    • Zacharia, R.; Ulbricht, H.; Hertel, T. Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons Phys. Rev. B 2004, 69, 155406
    • (2004) Phys. Rev. B , vol.69 , pp. 155406
    • Zacharia, R.1    Ulbricht, H.2    Hertel, T.3
  • 27
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmuller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 28
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 29
    • 0034667048 scopus 로고    scopus 로고
    • Electronic Structure of Three-Dimensional Graphyne
    • Narita, N.; Nagai, S.; Suzuki, S.; Nakao, K. Electronic Structure of Three-Dimensional Graphyne Phys. Rev. B 2000, 62, 11146-11151
    • (2000) Phys. Rev. B , vol.62 , pp. 11146-11151
    • Narita, N.1    Nagai, S.2    Suzuki, S.3    Nakao, K.4
  • 31
    • 11744288931 scopus 로고
    • Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems
    • Blase, X.; Rubio, A.; Louie, S. G.; Cohen, M. L. Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems Phys. Rev. B 1995, 51, 6868
    • (1995) Phys. Rev. B , vol.51 , pp. 6868
    • Blase, X.1    Rubio, A.2    Louie, S.G.3    Cohen, M.L.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.