메뉴 건너뛰기




Volumn 84, Issue 1, 2015, Pages 246-253

Electronic properties of α-graphyne nanotubes

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; ENERGY GAP; NANOTUBES; TUBES (COMPONENTS); YARN;

EID: 84922231935     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2014.12.002     Document Type: Article
Times cited : (74)

References (48)
  • 2
    • 0002170380 scopus 로고    scopus 로고
    • Growth and trends of fullerene research as reflected in its journal literature
    • Braun T, Schubert AP, Kostoff RN. Growth and trends of fullerene research as reflected in its journal literature. Chem Rev 2000;100(6):23-7.
    • (2000) Chem Rev , vol.100 , Issue.6 , pp. 23-27
    • Braun, T.1    Schubert, A.P.2    Kostoff, R.N.3
  • 3
    • 84875828149 scopus 로고    scopus 로고
    • Carbon nanotube electronics-Moving forward
    • Wang C, Takei K, Takahashi T, Javey A. Carbon nanotube electronics-moving forward. Chem Soc Rev 2013;42(7):2592-609.
    • (2013) Chem Soc Rev , vol.42 , Issue.7 , pp. 2592-2609
    • Wang, C.1    Takei, K.2    Takahashi, T.3    Javey, A.4
  • 4
    • 0346304911 scopus 로고    scopus 로고
    • Nanotubes from carbon
    • Ajayan PM. Nanotubes from carbon. Chem Rev 1999;99(7):1787-99.
    • (1999) Chem Rev , vol.99 , Issue.7 , pp. 1787-1799
    • Ajayan, P.M.1
  • 5
    • 59649099717 scopus 로고    scopus 로고
    • Largescale pattern growth of graphene films for stretchable transparent electrodes
    • Kim KS, Zhao Y, Jang H, Lee SY, Kim JM, Kim KS, et al. Largescale pattern growth of graphene films for stretchable transparent electrodes. Nature 2009;457(7230):706-10.
    • (2009) Nature , vol.457 , Issue.7230 , pp. 706-710
    • Kim, K.S.1    Zhao, Y.2    Jang, H.3    Lee, S.Y.4    Kim, J.M.5    Kim, K.S.6
  • 6
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • Iijima S. Helical microtubules of graphitic carbon. Nature 1991;354:56-8.
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 8
    • 84873808704 scopus 로고    scopus 로고
    • Carbon nanotubes: Present and future commercial applications
    • De Volder MFL, Tawfick SH, Baughman RH, Hart AJ. Carbon nanotubes: present and future commercial applications. Science 2013;339(6119):535-9.
    • (2013) Science , vol.339 , Issue.6119 , pp. 535-539
    • De Volder, M.F.L.1    Tawfick, S.H.2    Baughman, R.H.3    Hart, A.J.4
  • 9
    • 0001009791 scopus 로고
    • Structure-property predictions for new planar forms of carbon: Layered phases containing sp2 and sp atoms
    • Baughman RH, Eckhardt H, Kertesz M. Structure-property predictions for new planar forms of carbon: layered phases containing sp2 and sp atoms. J Chem Phys 1987;87:6687-99.
    • (1987) J Chem Phys , vol.87 , pp. 6687-6699
    • Baughman, R.H.1    Eckhardt, H.2    Kertesz, M.3
  • 10
    • 84896978019 scopus 로고    scopus 로고
    • Graphdiyne and graphyne: From theoretical predictions to practical construction
    • Li Y, Xu L, Liu H, Li Y. Graphdiyne and graphyne: from theoretical predictions to practical construction. Chem Soc Rev 2014;43:2572-86.
    • (2014) Chem Soc Rev , vol.43 , pp. 2572-2586
    • Li, Y.1    Xu, L.2    Liu, H.3    Li, Y.4
  • 11
    • 79955570624 scopus 로고    scopus 로고
    • High mobility and high storage capacity of lithium in sp-sp2 hybridized carbon network: The case of graphyne
    • Zhang H, Zhao M, He X, Wang Z, Zhang X, Liu X. High mobility and high storage capacity of lithium in sp-sp2 hybridized carbon network: the case of graphyne. J Phys Chem C 2011;115(17):8845-50.
    • (2011) J Phys Chem C , vol.115 , Issue.17 , pp. 8845-8850
    • Zhang, H.1    Zhao, M.2    He, X.3    Wang, Z.4    Zhang, X.5    Liu, X.6
  • 12
    • 81755167288 scopus 로고    scopus 로고
    • High capacity hydrogen storage in Ca decorated graphyne: A first-principles study
    • Li C, Li J, Wu F, Li SS, Xia JB, Wang LW. High capacity hydrogen storage in Ca decorated graphyne: a first-principles study. J Phys Chem C 2011;115(46):23221-5.
    • (2011) J Phys Chem C , vol.115 , Issue.46 , pp. 23221-23225
    • Li, C.1    Li, J.2    Wu, F.3    Li, S.S.4    Xia, J.B.5    Wang, L.W.6
  • 13
    • 84901992399 scopus 로고    scopus 로고
    • Graphynes as promising cathode material of fuel cell: Improvement of oxygen reduction efficiency
    • Kang B, Lee JY. Graphynes as promising cathode material of fuel cell: improvement of oxygen reduction efficiency. J Phys Chem C 2014;118(22):12035-40.
    • (2014) J Phys Chem C , vol.118 , Issue.22 , pp. 12035-12040
    • Kang, B.1    Lee, J.Y.2
  • 14
    • 79951527550 scopus 로고    scopus 로고
    • Construction of tubular molecule aggregations of graphdiyne for highly efficient field emission
    • Li GX, Li YL, Qian XM, Liu HB, Lin HW, Chen N, et al. Construction of tubular molecule aggregations of graphdiyne for highly efficient field emission. J Phys Chem C 2011;115(6):2611-5.
    • (2011) J Phys Chem C , vol.115 , Issue.6 , pp. 2611-2615
    • Li, G.X.1    Li, Y.L.2    Qian, X.M.3    Liu, H.B.4    Lin, H.W.5    Chen, N.6
  • 15
    • 84885062239 scopus 로고    scopus 로고
    • Thermoelectric transport in graphyne nanotubes
    • Wang XM, Lu SS. Thermoelectric transport in graphyne nanotubes. J Phys Chem C 2013;117(38):19740-5.
    • (2013) J Phys Chem C , vol.117 , Issue.38 , pp. 19740-19745
    • Wang, X.M.1    Lu, S.S.2
  • 16
    • 84866911010 scopus 로고    scopus 로고
    • Calciumdecorated graphyne nanotubes as promising hydrogen storage media: A first-principles study
    • Wang YS, Yuan PF, Li M, Jiang WF, Sun Q, Jia Y. Calciumdecorated graphyne nanotubes as promising hydrogen storage media: a first-principles study. J Solid State Chem 2013;197:323-8.
    • (2013) J Solid State Chem , vol.197 , pp. 323-328
    • Wang, Y.S.1    Yuan, P.F.2    Li, M.3    Jiang, W.F.4    Sun, Q.5    Jia, Y.6
  • 17
    • 80054903620 scopus 로고    scopus 로고
    • Elastic, electronic, and optical properties of two-dimensional graphyne sheet
    • Kang J, Li J, Wu F, Li SS, Xia JB. Elastic, electronic, and optical properties of two-dimensional graphyne sheet. J Phys Chem C 2011;115(42):20466-70.
    • (2011) J Phys Chem C , vol.115 , Issue.42 , pp. 20466-20470
    • Kang, J.1    Li, J.2    Wu, F.3    Li, S.S.4    Xia, J.B.5
  • 18
    • 79961020865 scopus 로고    scopus 로고
    • Mechanical properties of graphyne
    • Cranford SW, Buehler MJ. Mechanical properties of graphyne. Carbon 2011;49(13):4111-21.
    • (2011) Carbon , vol.49 , Issue.13 , pp. 4111-4121
    • Cranford, S.W.1    Buehler, M.J.2
  • 19
    • 84865506090 scopus 로고    scopus 로고
    • Mechanical properties of graphynes under tension: A molecular dynamics study
    • Zhang YY, Pei QX, Wang CM. Mechanical properties of graphynes under tension: a molecular dynamics study. Appl Phys Lett 2012;101(8):081909.
    • (2012) Appl Phys Lett , vol.101 , Issue.8 , pp. 081909
    • Zhang, Y.Y.1    Pei, Q.X.2    Wang, C.M.3
  • 20
    • 84890285084 scopus 로고    scopus 로고
    • Oxygen adsorption on single layer graphyne: A DFT study
    • Kang B, Liu H, Lee JY. Oxygen adsorption on single layer graphyne: a DFT study. Phys Chem Chem Phys 2014;16:974-80.
    • (2014) Phys Chem Chem Phys , vol.16 , pp. 974-980
    • Kang, B.1    Liu, H.2    Lee, J.Y.3
  • 23
    • 3042813185 scopus 로고    scopus 로고
    • Quantum chemical study of the electronic structure of new nanotubular systems: Alpha-graphyne-like carbon, boron-nitrogen and boron-carbon-nitrogen nanotubes
    • Enyashin AN, Makurin YN, Ivanovskii AL. Quantum chemical study of the electronic structure of new nanotubular systems: alpha-graphyne-like carbon, boron-nitrogen and boron-carbon-nitrogen nanotubes. Carbon 2004;42(10):2081-9.
    • (2004) Carbon , vol.42 , Issue.10 , pp. 2081-2089
    • Enyashin, A.N.1    Makurin, Y.N.2    Ivanovskii, A.L.3
  • 24
    • 9644267243 scopus 로고
    • Hybridization effects and metallicity in small radius carbon nanotubes
    • Blase X, Benedict LX, Shirley EL, Louie SG. Hybridization effects and metallicity in small radius carbon nanotubes. Phys Rev Lett 1994;72:1878-81.
    • (1994) Phys Rev Lett , vol.72 , pp. 1878-1881
    • Blase, X.1    Benedict, L.X.2    Shirley, E.L.3    Louie, S.G.4
  • 25
    • 0034319689 scopus 로고    scopus 로고
    • From molecules to solids with the DMol(3) approach
    • Delley B. From molecules to solids with the DMol(3) approach. J Chem Phys 2000;113(18):7756-64.
    • (2000) J Chem Phys , vol.113 , Issue.18 , pp. 7756-7764
    • Delley, B.1
  • 26
    • 4944232881 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew JP, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett 1997;78(7):1396.
    • (1997) Phys Rev Lett , vol.78 , Issue.7 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 27
    • 2842565972 scopus 로고    scopus 로고
    • Generalized gradient approximation for the exchange-correlation hole of a manyelectron system
    • Perdew JP, Burke K, Wang Y. Generalized gradient approximation for the exchange-correlation hole of a manyelectron system. Phys Rev B 1996;54(23):16533-9.
    • (1996) Phys Rev B , vol.54 , Issue.23 , pp. 16533-16539
    • Perdew, J.P.1    Burke, K.2    Wang, Y.3
  • 28
    • 79961241143 scopus 로고    scopus 로고
    • Adsorption and diffusion of water on graphene from first principles
    • Ma J, Michaelides A, Alfe D, Schimka L, Kresse G, Wang EG. Adsorption and diffusion of water on graphene from first principles. Phys Rev B 2011;84(3):033402.
    • (2011) Phys Rev B , vol.84 , Issue.3 , pp. 033402
    • Ma, J.1    Michaelides, A.2    Alfe, D.3    Schimka, L.4    Kresse, G.5    Wang, E.G.6
  • 29
    • 79952034327 scopus 로고    scopus 로고
    • On the binding strength sequence for nucleic acid bases and C-60 with density functional and dispersion-corrected density functional theories: Whether C-60 could protect nucleic acid bases from radiation-induced damage
    • Sun WM, Bu YX, Wang YX. On the binding strength sequence for nucleic acid bases and C-60 with density functional and dispersion-corrected density functional theories: whether C-60 could protect nucleic acid bases from radiation-induced damage. J Phys Chem C 2011;115(8):3220-8.
    • (2011) J Phys Chem C , vol.115 , Issue.8 , pp. 3220-3228
    • Sun, W.M.1    Bu, Y.X.2    Wang, Y.X.3
  • 30
    • 84867007526 scopus 로고    scopus 로고
    • Graphyne: Hexagonal network of carbon with versatile Dirac cones
    • Kim BG, Choi HJ. Graphyne: hexagonal network of carbon with versatile Dirac cones. Phys Rev B 2012;86(11):115435.
    • (2012) Phys Rev B , vol.86 , Issue.11 , pp. 115435
    • Kim, B.G.1    Choi, H.J.2
  • 31
    • 0000946635 scopus 로고    scopus 로고
    • Optimized geometries and electronic structures of graphyne and its family
    • Narita N, Nagai S, Suzuki S, Nakao K. Optimized geometries and electronic structures of graphyne and its family. Phys Rev B 1998;58(16):11009-14.
    • (1998) Phys Rev B , vol.58 , Issue.16 , pp. 11009-11014
    • Narita, N.1    Nagai, S.2    Suzuki, S.3    Nakao, K.4
  • 32
    • 84897880044 scopus 로고    scopus 로고
    • Cohesion energetics of carbon allotropes: Quantum Monte Carlo Study
    • Shin H, Kang S, Koo J, Lee H, Kim J, Kwon Y. Cohesion energetics of carbon allotropes: Quantum Monte Carlo Study. J Chem Phys 2014;140(11).
    • (2014) J Chem Phys , vol.140 , Issue.11
    • Shin, H.1    Kang, S.2    Koo, J.3    Lee, H.4    Kim, J.5    Kwon, Y.6
  • 33
    • 0343341621 scopus 로고    scopus 로고
    • QM(DPT) and MD studies on formation mechanisms of C-60 fullerenes
    • Hua X, Cagin T, Che J, Goddard WA. QM(DPT) and MD studies on formation mechanisms of C-60 fullerenes. Nanotechnology 2000;11(2):85-8.
    • (2000) Nanotechnology , vol.11 , Issue.2 , pp. 85-88
    • Hua, X.1    Cagin, T.2    Che, J.3    Goddard, W.A.4
  • 34
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • Perdew JP, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B 1992;45:13244-9.
    • (1992) Phys Rev B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 35
    • 0043049887 scopus 로고
    • A multicenter numerical integration scheme for polyatomic molecules
    • Becke AD. A multicenter numerical integration scheme for polyatomic molecules. J Chem Phys 1988;88:2547-53.
    • (1988) J Chem Phys , vol.88 , pp. 2547-2553
    • Becke, A.D.1
  • 36
    • 19544385080 scopus 로고    scopus 로고
    • First-principles calculations for the electronic band structures of small diameter single-wall carbon nanotubes
    • Zolyomi V, Kurti J. First-principles calculations for the electronic band structures of small diameter single-wall carbon nanotubes. Phys Rev B 2004;70(8):085403.
    • (2004) Phys Rev B , vol.70 , Issue.8 , pp. 085403
    • Zolyomi, V.1    Kurti, J.2
  • 38
    • 19544385080 scopus 로고    scopus 로고
    • First-principles calculations for the electronic band structures of small diameter single-wall carbon nanotubes
    • Zolyomi V, Kurti J. First-principles calculations for the electronic band structures of small diameter single-wall carbon nanotubes. Phys Rev B 2004;70(8).
    • (2004) Phys Rev B , vol.70 , Issue.8
    • Zolyomi, V.1    Kurti, J.2
  • 39
    • 84899437089 scopus 로고    scopus 로고
    • Understanding the fundamental role of pi/pi, sigma/sigma, and sigma/pi dispersion interactions in shaping carbon-based materials
    • Alonso M, Woller T, Martin-Martinez FJ, Contreras-Garcia J, Geerlings P, De Proft F. Understanding the fundamental role of pi/pi, sigma/sigma, and sigma/pi dispersion interactions in shaping carbon-based materials. Chem Eur J 2014;20(17):4931-41.
    • (2014) Chem Eur J , vol.20 , Issue.17 , pp. 4931-4941
    • Alonso, M.1    Woller, T.2    Martin-Martinez, F.J.3    Contreras-Garcia, J.4    Geerlings, P.5    De Proft, F.6
  • 40
    • 40449114384 scopus 로고    scopus 로고
    • Localized Gaussian type orbital-periodic boundary condition-density functional theory study of infinite-length single-walled carbon nanotubes with various tubular diameters
    • Wang HW, Wang BC, Chen WH, Hayashi M. Localized Gaussian type orbital-periodic boundary condition-density functional theory study of infinite-length single-walled carbon nanotubes with various tubular diameters. J Phys Chem A 2008;112(8):1783-90.
    • (2008) J Phys Chem A , vol.112 , Issue.8 , pp. 1783-1790
    • Wang, H.W.1    Wang, B.C.2    Chen, W.H.3    Hayashi, M.4
  • 41
    • 0141461368 scopus 로고    scopus 로고
    • Dependence of optical transition energies on structure for single-walled carbon nanotubes in aqueous suspension: An empirical Kataura plot
    • Weisman RB, Bachilo SM. Dependence of optical transition energies on structure for single-walled carbon nanotubes in aqueous suspension: an empirical Kataura plot. Nano Lett 2003;3(9):1235-8.
    • (2003) Nano Lett , vol.3 , Issue.9 , pp. 1235-1238
    • Weisman, R.B.1    Bachilo, S.M.2
  • 44
    • 6244247458 scopus 로고    scopus 로고
    • Size, shape, and low energy electronic structure of carbon nanotubes
    • Kane CL, Mele EJ. Size, shape, and low energy electronic structure of carbon nanotubes. Phys Rev Lett 1997;78(10):1932-5.
    • (1997) Phys Rev Lett , vol.78 , Issue.10 , pp. 1932-1935
    • Kane, C.L.1    Mele, E.J.2
  • 45
    • 77957929236 scopus 로고    scopus 로고
    • Definitive band gaps for single-wall carbon nanotubes
    • Matsuda Y, Tahir-Kheli J, Goddard WA. Definitive band gaps for single-wall carbon nanotubes. J Phys Chem Lett 2010;1(19):2946-50.
    • (2010) J Phys Chem Lett , vol.1 , Issue.19 , pp. 2946-2950
    • Matsuda, Y.1    Tahir-Kheli, J.2    Goddard, W.A.3
  • 46
    • 0037055548 scopus 로고    scopus 로고
    • First principles calculations for electronic band structure of single-walled carbon nanotube under uniaxial strain
    • Ito T, Nishidate K, Baba M, Hasegawa M. First principles calculations for electronic band structure of single-walled carbon nanotube under uniaxial strain. Surf Sci 2002; 514(1-3):222-6.
    • (2002) Surf Sci , vol.514 , Issue.1-3 , pp. 222-226
    • Ito, T.1    Nishidate, K.2    Baba, M.3    Hasegawa, M.4
  • 47
    • 0035957725 scopus 로고    scopus 로고
    • Energy gaps in ''metallic'' single-walled carbon nanotubes
    • Ouyang M, Huang JL, Cheung CL, Lieber CM. Energy gaps in ''metallic'' single-walled carbon nanotubes. Science 2001;292(5517):702-5.
    • (2001) Science , vol.292 , Issue.5517 , pp. 702-705
    • Ouyang, M.1    Huang, J.L.2    Cheung, C.L.3    Lieber, C.M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.