메뉴 건너뛰기




Volumn 7, Issue , 2012, Pages 1-8

g-B3N3C: A novel two-dimensional graphite-like material

Author keywords

First principles; Graphene

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; ENERGY GAP; GRAPHENE; GROUND STATE; III-V SEMICONDUCTORS; NITROGEN;

EID: 84871200960     PISSN: 19317573     EISSN: 1556276X     Source Type: Journal    
DOI: 10.1186/1556-276X-7-624     Document Type: Article
Times cited : (13)

References (33)
  • 2
    • 77951557878 scopus 로고    scopus 로고
    • Hybridized graphene: Nanoscale patchworks
    • Rubio A: Hybridized graphene: nanoscale patchworks. Nat Mater 2010, 9:379-380.
    • (2010) Nat Mater , vol.9 , pp. 379-380
    • Rubio, A.1
  • 3
    • 84862273407 scopus 로고    scopus 로고
    • Transport properties of graphene nanoroads in boron nitride sheets
    • Jung J, Qiao Z, Niu Q, MacDonald AH: Transport properties of graphene nanoroads in boron nitride sheets. Nano Lett 2012, 12:2936-2940.
    • (2012) Nano Lett , vol.12 , pp. 2936-2940
    • Jung, J.1    Qiao, Z.2    Niu, Q.3    McDonald, A.H.4
  • 4
    • 84861799679 scopus 로고    scopus 로고
    • Optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride
    • Bernardi M, Palummo M, Grossman JC: Optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride. Phys Rev Lett 2012, 108:226805-226809.
    • (2012) Phys Rev Lett , vol.108 , pp. 226805-226809
    • Bernardi, M.1    Palummo, M.2    Grossman, J.C.3
  • 5
    • 78651336716 scopus 로고    scopus 로고
    • Graphene quantum dots embedded in hexagonal boron nitride sheets
    • Li J, Shenoy VB: Graphene quantum dots embedded in hexagonal boron nitride sheets. Appl Phys Lett 2011, 98:013105-013107.
    • (2011) Appl Phys Lett , vol.98 , pp. 013105-013107
    • Li, J.1    Shenoy, V.B.2
  • 7
    • 79954544268 scopus 로고    scopus 로고
    • Bandgap opening in boron nitride confined armchair graphene nanoribbon
    • Seol G, Guo J: Bandgap opening in boron nitride confined armchair graphene nanoribbon. Appl Phys Lett 2011, 98:143107-143109.
    • (2011) Appl Phys Lett , vol.98 , pp. 143107-143109
    • Seol, G.1    Guo, J.2
  • 8
    • 79957793983 scopus 로고    scopus 로고
    • Disorder and segregation in B-C-N graphene-type layers and nanotubes: Tuning the band gap
    • da Rocha Martins J, Chacham H: Disorder and segregation in B-C-N graphene-type layers and nanotubes: tuning the band gap. ACS Nano 2010, 5:385-393.
    • (2010) ACS Nano , vol.5 , pp. 385-393
    • da Rocha Martins, J.1    Chacham, H.2
  • 9
    • 79957869136 scopus 로고    scopus 로고
    • znanohybrids: Effect of domain segregation
    • znanohybrids: effect of domain segregation. J Phys Chem C 2011, 115:10842-10850.
    • (2011) J Phys Chem C , vol.115 , pp. 10842-10850
    • Manna, A.K.1    Pati, S.K.2
  • 11
    • 34347340678 scopus 로고    scopus 로고
    • Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculations
    • Si MS, Xue DS: Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculations. Phys Rev B 2007, 75:193409-193412.
    • (2007) Phys Rev B , vol.75 , pp. 193409-193412
    • Si, M.S.1    Xue, D.S.2
  • 13
    • 84856473751 scopus 로고    scopus 로고
    • Native defects in hybrid C/BN nanostructures by density functional theory calculations
    • Pruneda JM: Native defects in hybrid C/BN nanostructures by density functional theory calculations. Phys Rev B 2012, 85:045422-045427.
    • (2012) Phys Rev B , vol.85 , pp. 045422-045427
    • Pruneda, J.M.1
  • 15
    • 3042813185 scopus 로고    scopus 로고
    • Quantum chemical study of the electronic structure of new nanotubular systems: α-graphyne-like carbon, boron-nitrogen and boron-carbon-nitrogen nanotubes
    • Enyashin A, Makurin Y, Ivanovskii A: Quantum chemical study of the electronic structure of new nanotubular systems: α-graphyne-like carbon, boron-nitrogen and boron-carbon-nitrogen nanotubes. Carbon 2004, 42:2081-2089.
    • (2004) Carbon , vol.42 , pp. 2081-2089
    • Enyashin, A.1    Makurin, Y.2    Ivanovskii, A.3
  • 16
    • 39649094302 scopus 로고    scopus 로고
    • Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions
    • Dutta S, Pati SK: Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions. J Phys Chem B 2008, 112:1333-1335.
    • (2008) J Phys Chem B , vol.112 , pp. 1333-1335
    • Dutta, S.1    Pati, S.K.2
  • 17
    • 57349104038 scopus 로고    scopus 로고
    • Structure of chemically derivedmono-and few-atomic-layer boron nitride sheets
    • Han W, Wu L, Zhu Y, Watanabe K, Taniguchi T: Structure of chemically derivedmono-and few-atomic-layer boron nitride sheets. Appl Phys Lett 2008, 93:223103-223105.
    • (2008) Appl Phys Lett , vol.93 , pp. 223103-223105
    • Han, W.1    Wu, L.2    Zhu, Y.3    Watanabe, K.4    Taniguchi, T.5
  • 18
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew JP, Burke K, Ernzerhof M: Generalized gradient approximation made simple. Phys Rev Lett 1996, 77:3865-3868.
    • (1996) Phys Rev Lett , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 19
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations formetals and semiconductors using a plane-wave basis set
    • Kresse G, Furthm̈ uller J: Efficiency of ab-initio total energy calculations formetals and semiconductors using a plane-wave basis set. Comp Mater Sci 1996, 6:15-50.
    • (1996) Comp Mater Sci , vol.6 , pp. 15-50
    • Kresse, G.1    Furthm̈ uller, J.2
  • 20
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse G, Furthm̈ uller J: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 1996, 54:11169-11186.
    • (1996) Phys Rev B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthm̈ uller, J.2
  • 23
    • 27644519159 scopus 로고    scopus 로고
    • Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
    • Heyd J, Peralta JE, Scuseria GE, Martin RL: Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. J Chem Phys 2005, 123:174101-174108.
    • (2005) J Chem Phys , vol.123 , pp. 174101-174108
    • Heyd, J.1    Peralta, J.E.2    Scuseria, G.E.3    Martin, R.L.4
  • 24
    • 33745137071 scopus 로고    scopus 로고
    • A simple effective potential for exchange
    • Becke AD, Johnson ER: A simple effective potential for exchange. J Chem Phys 2006, 124:221101-221104.
    • (2006) J Chem Phys , vol.124 , pp. 221101-221104
    • Becke, A.D.1    Johnson, E.R.2
  • 25
    • 66649086821 scopus 로고    scopus 로고
    • Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential
    • Tran F, Blaha P: Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential. Phys Rev Lett 2009, 102:226401-226404.
    • (2009) Phys Rev Lett , vol.102 , pp. 226401-226404
    • Tran, F.1    Blaha, P.2
  • 26
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W, Sham LJ: Self-consistent equations including exchange and correlation effects. Phys Rev 1965, 140:A1133-1138.
    • (1965) Phys Rev , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 27
    • 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, 45:13244-13249.
    • (1992) Phys Rev B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 28
    • 84865380834 scopus 로고    scopus 로고
    • Structures of themolecular components in DNA and RNA with bond lengths interpreted as sums of atomic covalent radii
    • Heyrovska R: Structures of themolecular components in DNA and RNA with bond lengths interpreted as sums of atomic covalent radii. Open Struct Biol J 2008, 2:1-7.
    • (2008) Open Struct Biol J , vol.2 , pp. 1-7
    • Heyrovska, R.1
  • 30
    • 84861622845 scopus 로고    scopus 로고
    • Ab initio studies of hydrogen adatoms on bilayer graphene
    • Mapasha RE, Ukpong AM, Chetty N: Ab initio studies of hydrogen adatoms on bilayer graphene. Phys Rev B 2012, 85:205402-205413.
    • (2012) Phys Rev B , vol.85 , pp. 205402-205413
    • Mapasha, R.E.1    Ukpong, A.M.2    Chetty, N.3
  • 32
    • 29544437003 scopus 로고    scopus 로고
    • Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states
    • Lee H, Son Y, Park N, Han S, Yu J: Magnetic ordering at the edges of graphitic fragments: magnetic tail interactions between the edge-localized states. Phys Rev B 2005, 72:174431-174438.
    • (2005) Phys Rev B , vol.72 , pp. 174431-174438
    • Lee, H.1    Son, Y.2    Park, N.3    Han, S.4    Yu, J.5
  • 33
    • 24244447122 scopus 로고
    • Ruderman-Kittel theory of oscillatory interlayer exchange coupling
    • Bruno P, Chappert C: Ruderman-Kittel theory of oscillatory interlayer exchange coupling. Phys Rev B 1992, 46:261-270.
    • (1992) Phys Rev B , vol.46 , pp. 261-270
    • Bruno, P.1    Chappert, C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.