메뉴 건너뛰기




Volumn 354, Issue , 2015, Pages 221-228

Functional MoS 2 by the Co/Ni doping as the catalyst for oxygen reduction reaction

Author keywords

Density functional theory; Doped monolayer MoS 2; Oxygen reduction reaction

Indexed keywords

CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; ELECTROLYTIC REDUCTION; FUEL CELLS; IRON COMPOUNDS; LAYERED SEMICONDUCTORS; MOLYBDENUM COMPOUNDS; OXYGEN;

EID: 84944280643     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.12.134     Document Type: Conference Paper
Times cited : (80)

References (47)
  • 2
    • 0000246469 scopus 로고
    • A new fuel cell cathode catalyst
    • R. Jasinski A new fuel cell cathode catalyst Nature 201 1964 1212 1213
    • (1964) Nature , vol.201 , pp. 1212-1213
    • Jasinski, R.1
  • 3
    • 84878076217 scopus 로고    scopus 로고
    • 4 moieties in graphene for the oxygen reduction reaction: Evidence of spin-dependent mechanisms
    • 4 moieties in graphene for the oxygen reduction reaction: evidence of spin-dependent mechanisms J. Phys. Chem. C 117 2013 9812 9818
    • (2013) J. Phys. Chem. C , vol.117 , pp. 9812-9818
    • Orellana, W.1
  • 4
    • 84878644154 scopus 로고    scopus 로고
    • High performance Fe- and N-doped carbon catalyst with graphene structure for oxygen reduction
    • H. Peng, Z. Mo, S. Liao, H. Liang, L. Yang, F. Luo, H. Song, Y. Zhong, and B. Zhang High performance Fe- and N-doped carbon catalyst with graphene structure for oxygen reduction Sci. Rep. 3 2013 1765
    • (2013) Sci. Rep. , vol.3 , pp. 1765
    • Peng, H.1    Mo, Z.2    Liao, S.3    Liang, H.4    Yang, L.5    Luo, F.6    Song, H.7    Zhong, Y.8    Zhang, B.9
  • 5
    • 77950140364 scopus 로고    scopus 로고
    • Nitrogen-doped graphene as efficient metal-free electrocatalyst for oxygen reduction in fuel cells
    • L. Qu, Y. Liu, J.B. Baek, and L. Dai Nitrogen-doped graphene as efficient metal-free electrocatalyst for oxygen reduction in fuel cells ACS Nano 4 2010 1321 1326
    • (2010) ACS Nano , vol.4 , pp. 1321-1326
    • Qu, L.1    Liu, Y.2    Baek, J.B.3    Dai, L.4
  • 6
    • 84868530143 scopus 로고    scopus 로고
    • x /C electrocatalysts for oxygen reduction in alkaline and acidic media
    • x /C electrocatalysts for oxygen reduction in alkaline and acidic media J. Phys. Chem. C 116 2012 17378 17383
    • (2012) J. Phys. Chem. C , vol.116 , pp. 17378-17383
    • Kattel, S.1    Atanassov, P.2    Kiefer, B.3
  • 7
    • 84856206017 scopus 로고    scopus 로고
    • Sulfur-doped graphene as an efficient metal-free cathode catalyst for oxygen reduction
    • Z. Yang, Z. Yao, G. Li, G. Fang, H. Nie, Z. Liu, X. Zhou, X. Chen, and S. Huang Sulfur-doped graphene as an efficient metal-free cathode catalyst for oxygen reduction ACS Nano 6 2011 205 211
    • (2011) ACS Nano , vol.6 , pp. 205-211
    • Yang, Z.1    Yao, Z.2    Li, G.3    Fang, G.4    Nie, H.5    Liu, Z.6    Zhou, X.7    Chen, X.8    Huang, S.9
  • 8
    • 84867148156 scopus 로고    scopus 로고
    • Vertically aligned carbon nanotube arrays co-doped with phosphorus and nitrogen as efficient metal-free electrocatalysts for oxygen reduction
    • D. Yu, Y. Xue, and L. Dai Vertically aligned carbon nanotube arrays co-doped with phosphorus and nitrogen as efficient metal-free electrocatalysts for oxygen reduction J. Phys. Chem. Lett. 3 2012 2863 2870
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2863-2870
    • Yu, D.1    Xue, Y.2    Dai, L.3
  • 10
    • 84856505283 scopus 로고    scopus 로고
    • Band gap engineering by functionalization of BN sheet
    • A. Bhattacharya, S. Bhattacharya, and G.P. Das Band gap engineering by functionalization of BN sheet Phys. Rev. B 85 2012 035415
    • (2012) Phys. Rev. B , vol.85 , pp. 035415
    • Bhattacharya, A.1    Bhattacharya, S.2    Das, G.P.3
  • 11
    • 84873291326 scopus 로고    scopus 로고
    • Theoretical prediction for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction
    • A. Lyalin, A. Nakayama, K. Uosaki, and T. Taketsugu Theoretical prediction for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction Phys. Chem. Chem. Phys. 15 2013 2809 2820
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 2809-2820
    • Lyalin, A.1    Nakayama, A.2    Uosaki, K.3    Taketsugu, T.4
  • 12
    • 84885967119 scopus 로고    scopus 로고
    • Functionalization of monolayer h-BN by a metal support for the oxygen reduction reaction
    • A. Lyalin, A. Nakayama, K. Uosaki, and T. Taketsugu Functionalization of monolayer h-BN by a metal support for the oxygen reduction reaction J. Phys. Chem. C 117 2013 21359 21370
    • (2013) J. Phys. Chem. C , vol.117 , pp. 21359-21370
    • Lyalin, A.1    Nakayama, A.2    Uosaki, K.3    Taketsugu, T.4
  • 13
    • 84875287785 scopus 로고    scopus 로고
    • 4 as a novel metal-macrocyclic electrocatalyst for the oxygen reduction reaction in fuel cells
    • 4 as a novel metal-macrocyclic electrocatalyst for the oxygen reduction reaction in fuel cells Langmuir 29 2013 3821 3828
    • (2013) Langmuir , vol.29 , pp. 3821-3828
    • Liu, Q.1    Zhang, J.2
  • 14
    • 84875413255 scopus 로고    scopus 로고
    • The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
    • M. Chhowalla, H.S. Shin, G. Eda, L.J. Li, K.P. Loh, and H. Zhang The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets Nat. Chem. 5 2013 263 275
    • (2013) Nat. Chem. , vol.5 , pp. 263-275
    • Chhowalla, M.1    Shin, H.S.2    Eda, G.3    Li, L.J.4    Loh, K.P.5    Zhang, H.6
  • 16
    • 84863941695 scopus 로고    scopus 로고
    • Two-dimensional transition metal dichalcogenides under electron irradiation: Defect production and doping
    • H.P. Komsa, J. Kotakoski, S. Kurasch, O. Lehtinen, U. Kaiser, and A.V. Krasheninnikov Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping Phys. Rev. Lett. 109 2012 035503
    • (2012) Phys. Rev. Lett. , vol.109 , pp. 035503
    • Komsa, H.P.1    Kotakoski, J.2    Kurasch, S.3    Lehtinen, O.4    Kaiser, U.5    Krasheninnikov, A.V.6
  • 17
    • 34447260582 scopus 로고
    • An all-electron numerical method for solving the local density functional for polyatomic molecules
    • B. Delley An all-electron numerical method for solving the local density functional for polyatomic molecules J. Chem. Phys. 92 1990 508 517
    • (1990) J. Chem. Phys. , vol.92 , pp. 508-517
    • Delley, B.1
  • 18
  • 19
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 20
    • 0037110056 scopus 로고    scopus 로고
    • Hardness conserving semilocal pseudopotentials
    • B. Delley Hardness conserving semilocal pseudopotentials Phys. Rev. B 66 2002 155125
    • (2002) Phys. Rev. B , vol.66 , pp. 155125
    • Delley, B.1
  • 21
    • 33745620157 scopus 로고    scopus 로고
    • The conductor-like screening model for polymers and surfaces
    • B. Delley The conductor-like screening model for polymers and surfaces Mol. Simul. 32 2006 117 123
    • (2006) Mol. Simul. , vol.32 , pp. 117-123
    • Delley, B.1
  • 23
    • 84862893246 scopus 로고    scopus 로고
    • Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains
    • P. Johari, and V.B. Shenoy Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains ACS Nano 6 2012 5449 5456
    • (2012) ACS Nano , vol.6 , pp. 5449-5456
    • Johari, P.1    Shenoy, V.B.2
  • 24
    • 84896373362 scopus 로고    scopus 로고
    • 2 with sulfur vacancies: Structure and catalytic application
    • 2 with sulfur vacancies: structure and catalytic application J. Phys. Chem. C 118 2014 5346 5351
    • (2014) J. Phys. Chem. C , vol.118 , pp. 5346-5351
    • Le, D.1    Rawal, T.B.2    Rahman, T.S.3
  • 26
    • 84876406428 scopus 로고    scopus 로고
    • 2 by substitutional doping: A first-principles study
    • 2 by substitutional doping: a first-principles study Phys. Lett. A 377 2013 1362 1367
    • (2013) Phys. Lett. A , vol.377 , pp. 1362-1367
    • Yue, Q.1    Chang, S.2    Qin, S.3    Li, J.4
  • 28
    • 65549168207 scopus 로고    scopus 로고
    • Magnetism in graphene due to single-atom defects: Dependence on the concentration and packing geometry of defects
    • S. Ranber, and K. Peter Magnetism in graphene due to single-atom defects: dependence on the concentration and packing geometry of defects J. Phys. Condens. Matter 21 2009 196002
    • (2009) J. Phys. Condens. Matter , vol.21 , pp. 196002
    • Ranber, S.1    Peter, K.2
  • 29
    • 34347340678 scopus 로고    scopus 로고
    • Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculation
    • M.S. Si, and D.S. Xue Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculation Phys. Rev. B 75 2007 193409
    • (2007) Phys. Rev. B , vol.75 , pp. 193409
    • Si, M.S.1    Xue, D.S.2
  • 31
    • 79952283523 scopus 로고    scopus 로고
    • CO catalytic oxidation on copper-embedded graphene
    • E.H. Song, Z. Wen, and Q. Jiang CO catalytic oxidation on copper-embedded graphene J. Phys. Chem. C 115 2011 3678 3683
    • (2011) J. Phys. Chem. C , vol.115 , pp. 3678-3683
    • Song, E.H.1    Wen, Z.2    Jiang, Q.3
  • 32
    • 51149111811 scopus 로고    scopus 로고
    • Theory and simulation in heterogeneous gold catalysis
    • R. Coquet, K.L. Howard, and D.J. Willock Theory and simulation in heterogeneous gold catalysis Chem. Soc. Rev. 37 2008 2046 2076
    • (2008) Chem. Soc. Rev. , vol.37 , pp. 2046-2076
    • Coquet, R.1    Howard, K.L.2    Willock, D.J.3
  • 33
    • 2942618698 scopus 로고    scopus 로고
    • Adsorption energies of molecular oxygen on Au clusters
    • X. Ding, Z. Li, J. Yang, J.G. Hou, and Q. Zhu Adsorption energies of molecular oxygen on Au clusters J. Chem. Phys. 120 2004 9594 9600
    • (2004) J. Chem. Phys. , vol.120 , pp. 9594-9600
    • Ding, X.1    Li, Z.2    Yang, J.3    Hou, J.G.4    Zhu, Q.5
  • 35
    • 84902657263 scopus 로고    scopus 로고
    • Electrocatalytic oxygen reduction kinetics on Fe-center of nitrogen-doped graphene
    • J. Sun, Y.H. Fang, and Z.P. Liu Electrocatalytic oxygen reduction kinetics on Fe-center of nitrogen-doped graphene Phys. Chem. Chem. Phys. 16 2014 13733 13740
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 13733-13740
    • Sun, J.1    Fang, Y.H.2    Liu, Z.P.3
  • 36
    • 80052119234 scopus 로고    scopus 로고
    • Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions
    • F. Calle-Vallejo, J.I. Martinez, and J. Rossmeisl Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions Phys. Chem. Chem. Phys. 13 2011 15639 15643
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 15639-15643
    • Calle-Vallejo, F.1    Martinez, J.I.2    Rossmeisl, J.3
  • 37
    • 79960683735 scopus 로고    scopus 로고
    • Theory, synthesis, and oxygen reduction catalysis of Fe-porphyrin-like carbon nanotube
    • D.H. Lee, W.J. Lee, W.J. Lee, S.O. Kim, and Y.H. Kim Theory, synthesis, and oxygen reduction catalysis of Fe-porphyrin-like carbon nanotube Phys. Rev. Lett. 106 2011 175502
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 175502
    • Lee, D.H.1    Lee, W.J.2    Lee, W.J.3    Kim, S.O.4    Kim, Y.H.5
  • 38
    • 84864454477 scopus 로고    scopus 로고
    • Molecular and electronic structures of transition-metal macrocyclic complexes as related to catalyzing oxygen reduction reactions: A density functional theory study
    • H. He, Y. Lei, C. Xiao, D. Chu, R. Chen, and G. Wang Molecular and electronic structures of transition-metal macrocyclic complexes as related to catalyzing oxygen reduction reactions: a density functional theory study J. Phys. Chem. C 116 2012 16038 16046
    • (2012) J. Phys. Chem. C , vol.116 , pp. 16038-16046
    • He, H.1    Lei, Y.2    Xiao, C.3    Chu, D.4    Chen, R.5    Wang, G.6
  • 39
    • 0035909709 scopus 로고    scopus 로고
    • Computational studies of the interactions of oxygen with platinum clusters
    • T. Li, and P.B. Balbuena Computational studies of the interactions of oxygen with platinum clusters J. Phys. Chem. B 105 2001 9943 9952
    • (2001) J. Phys. Chem. B , vol.105 , pp. 9943-9952
    • Li, T.1    Balbuena, P.B.2
  • 40
    • 79956091593 scopus 로고    scopus 로고
    • Density functional theory study of the oxygen reduction reaction on metalloporphyrins and metallophthalocyanines
    • S. Sun, N. Jiang, and D. Xia Density functional theory study of the oxygen reduction reaction on metalloporphyrins and metallophthalocyanines J. Phys. Chem. C 115 2011 9511 9517
    • (2011) J. Phys. Chem. C , vol.115 , pp. 9511-9517
    • Sun, S.1    Jiang, N.2    Xia, D.3
  • 41
    • 0001216891 scopus 로고
    • Electrode kinetics of oxygen reduction on oxide-free platinum electrodes
    • A. Damjanovic, and V. Brusic Electrode kinetics of oxygen reduction on oxide-free platinum electrodes Electrochim. Acta 12 1967 615 628
    • (1967) Electrochim. Acta , vol.12 , pp. 615-628
    • Damjanovic, A.1    Brusic, V.2
  • 42
    • 84893017019 scopus 로고    scopus 로고
    • Layered SiC sheets: A potential catalyst for oxygen reduction reaction
    • P. Zhang, B.B. Xiao, X.L. Hou, Y.F. Zhu, and Q. Jiang Layered SiC sheets: a potential catalyst for oxygen reduction reaction Sci. Rep. 4 2014 3821
    • (2014) Sci. Rep. , vol.4 , pp. 3821
    • Zhang, P.1    Xiao, B.B.2    Hou, X.L.3    Zhu, Y.F.4    Jiang, Q.5
  • 44
    • 84883877753 scopus 로고    scopus 로고
    • x nanoparticles on carbon black supports for oxygen reduction electrocatalysts in acidic media
    • x nanoparticles on carbon black supports for oxygen reduction electrocatalysts in acidic media ACS Catal. 3 2013 2181 2189
    • (2013) ACS Catal. , vol.3 , pp. 2181-2189
    • Seo, J.1    Cha, D.2    Takanabe, K.3    Kubota, J.4    Domen, K.5
  • 45
    • 84892631912 scopus 로고    scopus 로고
    • 0.85 Se/graphene hybrid nanosheets: Controlled synthesis and enhanced performances for the oxygen reduction reaction and decomposition of hydrazine hydrate
    • 0.85 Se/graphene hybrid nanosheets: controlled synthesis and enhanced performances for the oxygen reduction reaction and decomposition of hydrazine hydrate Nanoscale 6 2014 1782 1789
    • (2014) Nanoscale , vol.6 , pp. 1782-1789
    • Zhang, L.F.1    Zhang, C.Y.2
  • 46
    • 33846813807 scopus 로고    scopus 로고
    • A novel methanol-tolerant Ir-Se chalcogenide electrocatalyst for oxygen reduction
    • K. Lee, L. Zhang, and J. Zhang A novel methanol-tolerant Ir-Se chalcogenide electrocatalyst for oxygen reduction J. Power Sources 165 2007 108 113
    • (2007) J. Power Sources , vol.165 , pp. 108-113
    • Lee, K.1    Zhang, L.2    Zhang, J.3
  • 47
    • 84872403485 scopus 로고    scopus 로고
    • Nano-nitride cathode catalysts of Ti, Ta, and Nb for polymer electrolyte fuel cells: Temperature-programmed desorption investigation of molecularly adsorbed oxygen at low-temperature
    • R. Ohnishi, K. Takanabe, M. Katayama, J. Kubota, and K. Domen Nano-nitride cathode catalysts of Ti, Ta, and Nb for polymer electrolyte fuel cells: temperature-programmed desorption investigation of molecularly adsorbed oxygen at low-temperature J. Phys. Chem. C 117 2013 496 502
    • (2013) J. Phys. Chem. C , vol.117 , pp. 496-502
    • Ohnishi, R.1    Takanabe, K.2    Katayama, M.3    Kubota, J.4    Domen, K.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.