메뉴 건너뛰기




Volumn 1049, Issue , 2014, Pages 13-19

Theoretical characterization of sulfur and nitrogen dual-doped graphene

Author keywords

Catalysis; Electronic properties; Graphene; Subtitutional doping

Indexed keywords


EID: 84907684762     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.08.023     Document Type: Article
Times cited : (84)

References (66)
  • 1
    • 77955231284 scopus 로고    scopus 로고
    • Graphene transistors
    • Schwierz F. Graphene transistors. Nat. Nanotech. 2010, 5:487-496.
    • (2010) Nat. Nanotech. , vol.5 , pp. 487-496
    • Schwierz, F.1
  • 2
    • 67649353262 scopus 로고    scopus 로고
    • Carbon sheets an atom thick give rise to graphene dreams
    • Service R.F. Carbon sheets an atom thick give rise to graphene dreams. Science 2009, 324:875-877.
    • (2009) Science , vol.324 , pp. 875-877
    • Service, R.F.1
  • 3
    • 84861602854 scopus 로고    scopus 로고
    • Towards new graphene materials: doped graphene sheets and nanoribbons
    • Lv R., Terrones M. Towards new graphene materials: doped graphene sheets and nanoribbons. Mater. Lett. 2012, 78:209-218.
    • (2012) Mater. Lett. , vol.78 , pp. 209-218
    • Lv, R.1    Terrones, M.2
  • 4
    • 84861442131 scopus 로고    scopus 로고
    • The role of defects and doping in 2D graphene sheets and 1D nanoribbons
    • Terrones H., Lv R., Terrones M., Dresselhaus M.S. The role of defects and doping in 2D graphene sheets and 1D nanoribbons. Rep. Prog. Phys. 2012, 75:062501.
    • (2012) Rep. Prog. Phys. , vol.75 , pp. 062501
    • Terrones, H.1    Lv, R.2    Terrones, M.3    Dresselhaus, M.S.4
  • 5
    • 84884535967 scopus 로고    scopus 로고
    • Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications
    • Paraknowitsch J.P., Thomas A. Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications. Energy Environ. Sci. 2013, 6:2839-2855.
    • (2013) Energy Environ. Sci. , vol.6 , pp. 2839-2855
    • Paraknowitsch, J.P.1    Thomas, A.2
  • 6
    • 62149086359 scopus 로고    scopus 로고
    • It possible to dope single-walled carbon nanotubes and graphene with sulfur?
    • Denis P.A., Faccio R., Mombru A.W., Is W. It possible to dope single-walled carbon nanotubes and graphene with sulfur?. ChemPhysChem 2009, 10:715-722.
    • (2009) ChemPhysChem , vol.10 , pp. 715-722
    • Denis, P.A.1    Faccio, R.2    Mombru, A.W.3    Is, W.4
  • 7
    • 84867043678 scopus 로고    scopus 로고
    • Concentration dependence of the band gaps of phosphorus and sulfur doped graphene
    • Denis P.A. Concentration dependence of the band gaps of phosphorus and sulfur doped graphene. Comput. Mater. Sci. 2013, 67:203-206.
    • (2013) Comput. Mater. Sci. , vol.67 , pp. 203-206
    • Denis, P.A.1
  • 8
    • 77954242821 scopus 로고    scopus 로고
    • Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulphur
    • Denis P.A. Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulphur. Chem. Phys. Lett. 2010, 492:251-257.
    • (2010) Chem. Phys. Lett. , vol.492 , pp. 251-257
    • Denis, P.A.1
  • 9
    • 79955705143 scopus 로고    scopus 로고
    • When noncovalent interactions are stronger than covalent bonds: bilayer graphene doped with second row atoms, aluminum, silicon, phosphorus and sulphur
    • Denis P.A. When noncovalent interactions are stronger than covalent bonds: bilayer graphene doped with second row atoms, aluminum, silicon, phosphorus and sulphur. Chem. Phys. Lett. 2011, 508:95-101.
    • (2011) Chem. Phys. Lett. , vol.508 , pp. 95-101
    • Denis, P.A.1
  • 11
    • 65349117503 scopus 로고    scopus 로고
    • Density functional investigation of thioepoxidated and thiolated graphene
    • Denis P.A. Density functional investigation of thioepoxidated and thiolated graphene. J. Phys. Chem. C 2009, 113:5612-5619.
    • (2009) J. Phys. Chem. C , vol.113 , pp. 5612-5619
    • Denis, P.A.1
  • 12
    • 84875715531 scopus 로고    scopus 로고
    • Geometrical and electronic structure investigations of S-doped graphene
    • Cong H., Yu B., Lu X. Geometrical and electronic structure investigations of S-doped graphene. Adv. Mat. Res. 2013, 669:144-148.
    • (2013) Adv. Mat. Res. , vol.669 , pp. 144-148
    • Cong, H.1    Yu, B.2    Lu, X.3
  • 16
    • 84865794677 scopus 로고    scopus 로고
    • Efficient synthesis of heteroatom (N or S)-doped graphene based on ultrathin graphene oxide-porous silica sheets for oxygen reduction reactions
    • Yang S., Zhi L., Tang K., Feng X., Maier J., Müllen K. Efficient synthesis of heteroatom (N or S)-doped graphene based on ultrathin graphene oxide-porous silica sheets for oxygen reduction reactions. Adv. Func. Mat. 2012, 22:3634-3640.
    • (2012) Adv. Func. Mat. , vol.22 , pp. 3634-3640
    • Yang, S.1    Zhi, L.2    Tang, K.3    Feng, X.4    Maier, J.5    Müllen, K.6
  • 17
    • 79960385744 scopus 로고    scopus 로고
    • Microporous sulfur-doped carbon from thienyl-based polymer network precursors
    • Paraknowitsch J.P., Thomas A., Schmidt J. Microporous sulfur-doped carbon from thienyl-based polymer network precursors. Chem. Commun. 2011, 47:8283-8285.
    • (2011) Chem. Commun. , vol.47 , pp. 8283-8285
    • Paraknowitsch, J.P.1    Thomas, A.2    Schmidt, J.3
  • 18
    • 84861868177 scopus 로고    scopus 로고
    • Functional carbon materials from ionic liquid precursors
    • Paraknowitsch J.P., Thomas A. Functional carbon materials from ionic liquid precursors. Macrom. Chem. Phys. 2012, 213:1132-1145.
    • (2012) Macrom. Chem. Phys. , vol.213 , pp. 1132-1145
    • Paraknowitsch, J.P.1    Thomas, A.2
  • 19
    • 84874062970 scopus 로고    scopus 로고
    • Sulfur-containing carbon by flame synthesis as efficient metal-free electrocatalyst for oxygen reduction reaction
    • Inamdar S., Choi H.-S., Wang P., Song M.Y., Yu J.-S. Sulfur-containing carbon by flame synthesis as efficient metal-free electrocatalyst for oxygen reduction reaction. Electrochem. Commun. 2013, 30:9-12.
    • (2013) Electrochem. Commun. , vol.30 , pp. 9-12
    • Inamdar, S.1    Choi, H.-S.2    Wang, P.3    Song, M.Y.4    Yu, J.-S.5
  • 20
    • 84868706972 scopus 로고    scopus 로고
    • Discharge product morphology and increased charge performance of lithium-oxygen batteries with graphene nanosheet electrodes: the effect of sulphur doping
    • Li Y., Wang J., Li X., Geng D., Banis M.N., Tang Y., Wang D., Li R., Sham T.-K., Sun X. Discharge product morphology and increased charge performance of lithium-oxygen batteries with graphene nanosheet electrodes: the effect of sulphur doping. J. Mater. Chem. 2012, 22:20170-20174.
    • (2012) J. Mater. Chem. , vol.22 , pp. 20170-20174
    • Li, Y.1    Wang, J.2    Li, X.3    Geng, D.4    Banis, M.N.5    Tang, Y.6    Wang, D.7    Li, R.8    Sham, T.-K.9    Sun, X.10
  • 21
    • 84866379942 scopus 로고    scopus 로고
    • Preparation of sulfur-doped microporous carbons for the storage of hydrogen and carbon dioxide
    • Xia Y., Zhu Y., Tang Y. Preparation of sulfur-doped microporous carbons for the storage of hydrogen and carbon dioxide. Carbon 2012, 50:5543-5553.
    • (2012) Carbon , vol.50 , pp. 5543-5553
    • Xia, Y.1    Zhu, Y.2    Tang, Y.3
  • 22
    • 77951727906 scopus 로고    scopus 로고
    • Nitrogen-doped graphene and its application in electrochemical biosensing
    • Wang Y., Shao Y., Matson D.W., Li J., Lin Y. Nitrogen-doped graphene and its application in electrochemical biosensing. ACSNANO 2010, 4:1790-1798.
    • (2010) ACSNANO , vol.4 , pp. 1790-1798
    • Wang, Y.1    Shao, Y.2    Matson, D.W.3    Li, J.4    Lin, Y.5
  • 24
    • 66249123595 scopus 로고    scopus 로고
    • N-doping of graphene through electrothermal reactions with ammonia
    • Wang X., Li X., Yoon Y., Weber P.K., Wang H., Guo J., Dai H. N-doping of graphene through electrothermal reactions with ammonia. Science 2009, 324:768-771.
    • (2009) Science , vol.324 , pp. 768-771
    • Wang, X.1    Li, X.2    Yoon, Y.3    Weber, P.K.4    Wang, H.5    Guo, J.6    Dai, H.7
  • 25
    • 66449118468 scopus 로고    scopus 로고
    • Synthesis of N-doped graphene by chemical vapor deposition and its electrical properties
    • Wei D., Liu Y., Wang Y., Zhang H., Huang L., Yu G. Synthesis of N-doped graphene by chemical vapor deposition and its electrical properties. Nano Lett. 2009, 9:1752-1758.
    • (2009) Nano Lett. , vol.9 , pp. 1752-1758
    • Wei, D.1    Liu, Y.2    Wang, Y.3    Zhang, H.4    Huang, L.5    Yu, G.6
  • 26
    • 84869447378 scopus 로고    scopus 로고
    • Intrinsically sulfur- and nitrogen-Co-doped carbons from thiazolium salts
    • Paraknowitsch J.P., Wienert B., Zhang Y., Thomas A. Intrinsically sulfur- and nitrogen-Co-doped carbons from thiazolium salts. Chem. Eur. J. 2012, 18:15416-15423.
    • (2012) Chem. Eur. J. , vol.18 , pp. 15416-15423
    • Paraknowitsch, J.P.1    Wienert, B.2    Zhang, Y.3    Thomas, A.4
  • 27
    • 84868592668 scopus 로고    scopus 로고
    • Sulfur and nitrogen dual-doped mesoporous graphene electrocatalyst for oxygen reduction with synergistically enhanced performance
    • Liang L., Jiao Y., Jaroniec M., Qiao S.Z. Sulfur and nitrogen dual-doped mesoporous graphene electrocatalyst for oxygen reduction with synergistically enhanced performance. Angew. Chem. Int. Ed. 2012, 51:11496-11500.
    • (2012) Angew. Chem. Int. Ed. , vol.51 , pp. 11496-11500
    • Liang, L.1    Jiao, Y.2    Jaroniec, M.3    Qiao, S.Z.4
  • 28
    • 84874741045 scopus 로고    scopus 로고
    • Sulfur and nitrogen Co-doped, few-layered graphene oxide as a highly efficient electrocatalyst for the oxygen-reduction reaction
    • Xu J., Dong G., Jin C., Huan M., Guan L. Sulfur and nitrogen Co-doped, few-layered graphene oxide as a highly efficient electrocatalyst for the oxygen-reduction reaction. ChemSusChem 2013, 6:493-499.
    • (2013) ChemSusChem , vol.6 , pp. 493-499
    • Xu, J.1    Dong, G.2    Jin, C.3    Huan, M.4    Guan, L.5
  • 29
    • 84857813984 scopus 로고    scopus 로고
    • A one-pot hydrothermal synthesis of tunable dual heteroatom-doped carbon microspheres
    • Wohlgemuth S.-A., Vilela F., Titirici M.-M., Antonietti M. A one-pot hydrothermal synthesis of tunable dual heteroatom-doped carbon microspheres. Green Chem. 2012, 14:741-749.
    • (2012) Green Chem. , vol.14 , pp. 741-749
    • Wohlgemuth, S.-A.1    Vilela, F.2    Titirici, M.-M.3    Antonietti, M.4
  • 30
    • 84860476540 scopus 로고    scopus 로고
    • A one-pot hydrothermal synthesis of sulfur and nitrogen doped carbon aerogels with enhanced electrocatalytic activity in the oxygen reduction reaction
    • Wohlgemuth S.-A., White R.J., Willinger M.-G., Titirici M.-M., Antonietti M. A one-pot hydrothermal synthesis of sulfur and nitrogen doped carbon aerogels with enhanced electrocatalytic activity in the oxygen reduction reaction. Green Chem. 2012, 14:1515-1523.
    • (2012) Green Chem. , vol.14 , pp. 1515-1523
    • Wohlgemuth, S.-A.1    White, R.J.2    Willinger, M.-G.3    Titirici, M.-M.4    Antonietti, M.5
  • 31
    • 71949129631 scopus 로고    scopus 로고
    • Gas adsorption on graphene doped with B, N, Al, and S: a theoretical study
    • Dai J., Yuan J., Giannozzi P. Gas adsorption on graphene doped with B, N, Al, and S: a theoretical study. Appl. Phys. Lett. 2009, 95:232105.
    • (2009) Appl. Phys. Lett. , vol.95 , pp. 232105
    • Dai, J.1    Yuan, J.2    Giannozzi, P.3
  • 32
    • 77952364783 scopus 로고    scopus 로고
    • Modulating the electronic and magnetic structures of P-doped graphene by molecule doping
    • Dai J., Yuan J. Modulating the electronic and magnetic structures of P-doped graphene by molecule doping. J. Phys.: Condens. Matter 2010, 22:225501.
    • (2010) J. Phys.: Condens. Matter , vol.22 , pp. 225501
    • Dai, J.1    Yuan, J.2
  • 34
    • 48749088890 scopus 로고    scopus 로고
    • Enhancement of CO detection in Al doped graphene
    • Ao Z.M., Yang J., Li S., Jiang Q. Enhancement of CO detection in Al doped graphene. Chem. Phys. Lett. 2008, 461:276-279.
    • (2008) Chem. Phys. Lett. , vol.461 , pp. 276-279
    • Ao, Z.M.1    Yang, J.2    Li, S.3    Jiang, Q.4
  • 35
    • 61649119708 scopus 로고    scopus 로고
    • Thermal stability of interaction between the CO molecules and the Al doped graphene
    • Ao Z.M., Yang J., Li S., Jiang Q. Thermal stability of interaction between the CO molecules and the Al doped graphene. Phys. Chem. Chem. Phys. 2009, 11:1683.
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 1683
    • Ao, Z.M.1    Yang, J.2    Li, S.3    Jiang, Q.4
  • 36
    • 80052740337 scopus 로고    scopus 로고
    • Tunable bandgap opening in the proposed structure of silicon-doped graphene
    • Azadeh M.S.S., Kokabi A., Hosseini M., Fardmanesh M. Tunable bandgap opening in the proposed structure of silicon-doped graphene. Micro Nano Lett. 2011, 6:582-585.
    • (2011) Micro Nano Lett. , vol.6 , pp. 582-585
    • Azadeh, M.S.S.1    Kokabi, A.2    Hosseini, M.3    Fardmanesh, M.4
  • 37
    • 80053926910 scopus 로고    scopus 로고
    • Analysis of band gap formation in graphene by Si impurities: local bonding interaction rules
    • Escaño M.C.S., Nguyen T.Q., Kasai H. Analysis of band gap formation in graphene by Si impurities: local bonding interaction rules. Chem. Phys. Lett. 2011, 515:85.
    • (2011) Chem. Phys. Lett. , vol.515 , pp. 85
    • Escaño, M.C.S.1    Nguyen, T.Q.2    Kasai, H.3
  • 38
    • 79960834406 scopus 로고    scopus 로고
    • An ab initio study on gas sensing properties of graphene and Si-doped graphene
    • Deng X., Wu Y., Dai J., Kang D., Zhang D. An ab initio study on gas sensing properties of graphene and Si-doped graphene. Eur. Phys. J. B 2011, 81:475-479.
    • (2011) Eur. Phys. J. B , vol.81 , pp. 475-479
    • Deng, X.1    Wu, Y.2    Dai, J.3    Kang, D.4    Zhang, D.5
  • 39
    • 80051927989 scopus 로고    scopus 로고
    • First-principles study of magnetic properties in Mo-doped graphene
    • Kang J., Deng H.-X., Li S.-S., Li J. First-principles study of magnetic properties in Mo-doped graphene. J. Phys.: Condens. Matter. 2011, 23:346001.
    • (2011) J. Phys.: Condens. Matter. , vol.23 , pp. 346001
    • Kang, J.1    Deng, H.-X.2    Li, S.-S.3    Li, J.4
  • 40
    • 80955166285 scopus 로고    scopus 로고
    • The improvement of the adsorption abilities of some gas molecules on g-BN sheet by carbon doping
    • Deng X., Zhang D., Si M., Deng M. The improvement of the adsorption abilities of some gas molecules on g-BN sheet by carbon doping. Physica E 2011, 44:495-500.
    • (2011) Physica E , vol.44 , pp. 495-500
    • Deng, X.1    Zhang, D.2    Si, M.3    Deng, M.4
  • 41
    • 79957584619 scopus 로고    scopus 로고
    • Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: a first-principles study
    • Dai X., Li Y., Xie M., Hu G., Zhao J., Zhao B. Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: a first-principles study. Physica E 2011, 43:1461-1464.
    • (2011) Physica E , vol.43 , pp. 1461-1464
    • Dai, X.1    Li, Y.2    Xie, M.3    Hu, G.4    Zhao, J.5    Zhao, B.6
  • 42
    • 80051893963 scopus 로고    scopus 로고
    • Chemical reactivity of lithium doped monolayer and bilayer graphene
    • Denis P.A. Chemical reactivity of lithium doped monolayer and bilayer graphene. J. Phys. Chem. C 2011, 115:13392-13398.
    • (2011) J. Phys. Chem. C , vol.115 , pp. 13392-13398
    • Denis, P.A.1
  • 44
    • 84885303413 scopus 로고    scopus 로고
    • On the addition of aryl radicals to graphene: the importance of nonbonded interactions
    • Denis P.A. On the addition of aryl radicals to graphene: the importance of nonbonded interactions. ChemPhysChem 2013, 14:3271-3277.
    • (2013) ChemPhysChem , vol.14 , pp. 3271-3277
    • Denis, P.A.1
  • 45
    • 78651067687 scopus 로고    scopus 로고
    • Monolayer and bilayer graphene functionalized with nitrene radicals
    • Denis P.A., Iribarne F. Monolayer and bilayer graphene functionalized with nitrene radicals. J. Phys. Chem. C 2011, 115:195-203.
    • (2011) J. Phys. Chem. C , vol.115 , pp. 195-203
    • Denis, P.A.1    Iribarne, F.2
  • 46
    • 84857617633 scopus 로고    scopus 로고
    • [2+2] Cycloadditions onto graphene
    • Denis P.A., Iribarne F. [2+2] Cycloadditions onto graphene. J. Mater. Chem. 2012, 22:5470-5477.
    • (2012) J. Mater. Chem. , vol.22 , pp. 5470-5477
    • Denis, P.A.1    Iribarne, F.2
  • 47
    • 84867333817 scopus 로고    scopus 로고
    • Cooperative behavior in functionalized graphene: explaining the occurrence of 1,3 cycloaddition of azomethine ylides onto graphene
    • Denis P.A., Iribarne F. Cooperative behavior in functionalized graphene: explaining the occurrence of 1,3 cycloaddition of azomethine ylides onto graphene. Chem. Phys. Lett. 2012, 550:111-117.
    • (2012) Chem. Phys. Lett. , vol.550 , pp. 111-117
    • Denis, P.A.1    Iribarne, F.2
  • 48
    • 77953437185 scopus 로고    scopus 로고
    • The 1,3 dipolar cycloaddition of azomethine ylides to graphene, single wall carbon nanotubes, and C60
    • Denis P.A., Iribarne F. The 1,3 dipolar cycloaddition of azomethine ylides to graphene, single wall carbon nanotubes, and C60. Int. J. Quantum Chem. 2010, 2010(110):1764-1768.
    • (2010) Int. J. Quantum Chem. , vol.2010 , Issue.110 , pp. 1764-1768
    • Denis, P.A.1    Iribarne, F.2
  • 49
    • 84861796614 scopus 로고    scopus 로고
    • A first-principles study on the interaction between alkyl radicals and graphene
    • Denis P.A., Iribarne F. A first-principles study on the interaction between alkyl radicals and graphene. Chem. Eur. J. 2012, 18:7568.
    • (2012) Chem. Eur. J. , vol.18 , pp. 7568
    • Denis, P.A.1    Iribarne, F.2
  • 50
    • 84874593887 scopus 로고    scopus 로고
    • Chemical reactivity of electron-doped and hole-doped graphene
    • Denis P.A. Chemical reactivity of electron-doped and hole-doped graphene. J. Phys. Chem. C 2013, 117:3895-3902.
    • (2013) J. Phys. Chem. C , vol.117 , pp. 3895-3902
    • Denis, P.A.1
  • 51
    • 77956184261 scopus 로고    scopus 로고
    • Thiophene adsorption on Single Wall Carbon Nanotubes and graphene
    • Denis P.A., Iribarne F. Thiophene adsorption on Single Wall Carbon Nanotubes and graphene. J. Mol. Struct. Theochem. 2010, 957:114-119.
    • (2010) J. Mol. Struct. Theochem. , vol.957 , pp. 114-119
    • Denis, P.A.1    Iribarne, F.2
  • 53
    • 0000730460 scopus 로고    scopus 로고
    • Self-consistent order-N density-functional calculations for very large systems
    • Ordejon P., Artacho E., Soler J.M. Self-consistent order-N density-functional calculations for very large systems. Phys. Rev. B 1996, 53:R10441.
    • (1996) Phys. Rev. B , vol.53 , pp. R10441
    • Ordejon, P.1    Artacho, E.2    Soler, J.M.3
  • 55
    • 33645426115 scopus 로고
    • Efficient pseudopotentials for plane-wave calculations
    • Troullier N., Martins J.L. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 1991, 43:1993.
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 56
    • 33845328066 scopus 로고    scopus 로고
    • A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
    • Zhao Y., Truhlar D.G. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. J. Chem. Phys. 2006, 125:194101.
    • (2006) J. Chem. Phys. , vol.125 , pp. 194101
    • Zhao, Y.1    Truhlar, D.G.2
  • 57
    • 40549127108 scopus 로고    scopus 로고
    • Density functionals with broad applicability in chemistry
    • Zhao Y., Truhlar D.G. Density functionals with broad applicability in chemistry. Acc. Chem. Res. 2008, 41:157-167.
    • (2008) Acc. Chem. Res. , vol.41 , pp. 157-167
    • Zhao, Y.1    Truhlar, D.G.2
  • 58
    • 10844298023 scopus 로고    scopus 로고
    • Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: beyond the local density approximation
    • Barone V., Scuseria G.E. Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: beyond the local density approximation. J. Chem. Phys. 2004, 121:10376-10379.
    • (2004) J. Chem. Phys. , vol.121 , pp. 10376-10379
    • Barone, V.1    Scuseria, G.E.2
  • 59
    • 2342537105 scopus 로고    scopus 로고
    • Assessment and validation of a screened Coulomb hybrid density functional
    • Heyd J., Scuseria G.E. Assessment and validation of a screened Coulomb hybrid density functional. J. Chem. Phys. 2004, 120:7274.
    • (2004) J. Chem. Phys. , vol.120 , pp. 7274
    • Heyd, J.1    Scuseria, G.E.2
  • 62
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J.P., 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
  • 63
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • Kresse G., Hafner J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 1993, 47:558.
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 64
    • 84877730925 scopus 로고    scopus 로고
    • A 3N rule for the electronic properties of doped graphene
    • Zhou Y.-C., Zhang H.-L., Zhang W.-Q. A 3N rule for the electronic properties of doped graphene. Nanotechnology 2013, 24:225705.
    • (2013) Nanotechnology , vol.24 , pp. 225705
    • Zhou, Y.-C.1    Zhang, H.-L.2    Zhang, W.-Q.3
  • 65
    • 84874540903 scopus 로고    scopus 로고
    • Spin-polarized electronic current induced by sublattice engineering of graphene sheets with boron/nitrogen
    • Park H., Wadehra A., Wilkins J.W., Castro Neto A.H. Spin-polarized electronic current induced by sublattice engineering of graphene sheets with boron/nitrogen. Phys. Rev. B 2013, 87:085411.
    • (2013) Phys. Rev. B , vol.87 , pp. 085411
    • Park, H.1    Wadehra, A.2    Wilkins, J.W.3    Castro Neto, A.H.4
  • 66
    • 79958739975 scopus 로고    scopus 로고
    • Mechanisms of oxygen reduction reaction on nitrogen-doped graphene for fuel cells
    • Zhang L., Xia Z. Mechanisms of oxygen reduction reaction on nitrogen-doped graphene for fuel cells. J. Phys. Chem. C 2011, 115:11170.
    • (2011) J. Phys. Chem. C , vol.115 , pp. 11170
    • Zhang, L.1    Xia, Z.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.