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Volumn 342, Issue , 2015, Pages 191-199

Adsorption behavior of Co anchored on graphene sheets toward NO, SO 2 , NH 3 , CO and HCN molecules

Author keywords

Co graphene; Electronic structure; First principles calculations; Gas adsorption; Magnetic property

Indexed keywords

CALCULATIONS; CHEMICAL SENSORS; COBALT; DANGLING BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GAS ADSORPTION; GAS DETECTORS; GASES; MAGNETIC PROPERTIES; MAGNETISM; MOLECULES;

EID: 84927548112     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.03.056     Document Type: Article
Times cited : (140)

References (50)
  • 3
    • 4344560262 scopus 로고    scopus 로고
    • Chemical sensing and catalysis by one-dimensional metal-oxide nanostructures
    • A. Kolmakov, and M. Moskovits Chemical sensing and catalysis by one-dimensional metal-oxide nanostructures Annu. Rev. Mater. Res. 34 2004 151 180
    • (2004) Annu. Rev. Mater. Res. , vol.34 , pp. 151-180
    • Kolmakov, A.1    Moskovits, M.2
  • 7
    • 67649225738 scopus 로고    scopus 로고
    • Graphene: Status and prospects
    • A.K. Geim Graphene: status and prospects Science 324 2009 1530
    • (2009) Science , vol.324 , pp. 1530
    • Geim, A.K.1
  • 8
    • 79953657081 scopus 로고    scopus 로고
    • Graphene based new energy materials
    • Y. Sun, Q. Wu, and G. Shi Graphene based new energy materials Energy Environ. Sci. 4 2011 1113 1132
    • (2011) Energy Environ. Sci. , vol.4 , pp. 1113-1132
    • Sun, Y.1    Wu, Q.2    Shi, G.3
  • 9
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the elastic properties and intrinsic strength of monolayer graphene
    • C. Lee, X. Wei, J.W. Kysar, and J. Hone Measurement of the elastic properties and intrinsic strength of monolayer graphene Science 321 2008 385 388
    • (2008) Science , vol.321 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 11
    • 83455244532 scopus 로고    scopus 로고
    • Graphene-based materials for catalysis
    • B.F. Machado, and P. Serp Graphene-based materials for catalysis Catal. Sci. Technol. 2 2012 54 75
    • (2012) Catal. Sci. Technol. , vol.2 , pp. 54-75
    • Machado, B.F.1    Serp, P.2
  • 12
    • 84860793320 scopus 로고    scopus 로고
    • Graphene as a new carbon support for low-temperature fuel cell catalysts
    • E. Antolini Graphene as a new carbon support for low-temperature fuel cell catalysts Appl. Catal. B: Environ. 123-124 2012 52 68
    • (2012) Appl. Catal. B: Environ. , vol.123-124 , pp. 52-68
    • Antolini, E.1
  • 13
    • 81255129158 scopus 로고    scopus 로고
    • Graphene and its derivative-based sensing materials for analytical devices
    • S. Guo, and S. Dong Graphene and its derivative-based sensing materials for analytical devices J. Mater. Chem. 21 2011 18503 18516
    • (2011) J. Mater. Chem. , vol.21 , pp. 18503-18516
    • Guo, S.1    Dong, S.2
  • 15
    • 84863607651 scopus 로고    scopus 로고
    • Graphene-based chemical sensors
    • F. Yavari, and N. Koratkar Graphene-based chemical sensors J. Phys. Chem. Lett. 3 2012 1746 1753
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 1746-1753
    • Yavari, F.1    Koratkar, N.2
  • 17
    • 84878148759 scopus 로고    scopus 로고
    • Graphene-related nanomaterials tuning properties by functionalization
    • Q. Tang, Z. Zhou, and Z. Chen Graphene-related nanomaterials tuning properties by functionalization Nanoscale 5 2013 4541 4583
    • (2013) Nanoscale , vol.5 , pp. 4541-4583
    • Tang, Q.1    Zhou, Z.2    Chen, Z.3
  • 21
    • 84871936996 scopus 로고    scopus 로고
    • Response of Si- and Al-doped graphenes toward HCN: A computational study
    • S.F. Rastegar, A.A. Peyghan, and N.L. Hadipour Response of Si- and Al-doped graphenes toward HCN: a computational study Appl. Surf. Sci. 265 2013 412 417
    • (2013) Appl. Surf. Sci. , vol.265 , pp. 412-417
    • Rastegar, S.F.1    Peyghan, A.A.2    Hadipour, N.L.3
  • 22
    • 34548266633 scopus 로고    scopus 로고
    • Surface transfer p-type doping of epitaxial graphene
    • W. Chen, S. Chen, D.C. Qi, X.Y. Gao, and A.T.S. Wee Surface transfer p-type doping of epitaxial graphene J. Am. Chem. Soc. 129 2007 10418 10422
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 10418-10422
    • Chen, W.1    Chen, S.2    Qi, D.C.3    Gao, X.Y.4    Wee, A.T.S.5
  • 23
    • 50249122647 scopus 로고    scopus 로고
    • Metal to insulator transition in epitaxial graphene induced by molecular doping
    • S. Zhou, D. Siegel, A. Fedorov, and A. Lanzara Metal to insulator transition in epitaxial graphene induced by molecular doping Phys. Rev. Lett. 101 2008 86402
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 86402
    • Zhou, S.1    Siegel, D.2    Fedorov, A.3    Lanzara, A.4
  • 24
    • 67650683712 scopus 로고    scopus 로고
    • Tuning the electronic structure of graphene by molecular charge transfer: A computational study
    • A.K. Manna, and S.K. Pati Tuning the electronic structure of graphene by molecular charge transfer: a computational study Chem. Asian J. 4 2009 855 860
    • (2009) Chem. Asian J. , vol.4 , pp. 855-860
    • Manna, A.K.1    Pati, S.K.2
  • 25
    • 79960834406 scopus 로고    scopus 로고
    • An ab initio study on gas sensing properties of graphene and Si-doped graphene
    • Y. Zou, F. Li, Z. Zhu, M. Zhao, X. Xu, and X. Su An ab initio study on gas sensing properties of graphene and Si-doped graphene Eur. Phys. J. B 81 2011 475 479
    • (2011) Eur. Phys. J. B , vol.81 , pp. 475-479
    • Zou, Y.1    Li, F.2    Zhu, Z.3    Zhao, M.4    Xu, X.5    Su, X.6
  • 26
    • 71949129631 scopus 로고    scopus 로고
    • Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study
    • J. Dai, J. Yuan, and P. Giannozzi Gas adsorption on graphene doped with B, N, Al, and S: a theoretical study Appl. Phys. Lett. 95 2009 232105
    • (2009) Appl. Phys. Lett. , vol.95 , pp. 232105
    • Dai, J.1    Yuan, J.2    Giannozzi, P.3
  • 27
    • 65549101628 scopus 로고    scopus 로고
    • Improving gas sensing properties of graphene by introducing dopants and defects: A first-principles study
    • Y.H. Zhang, Y.B. Chen, K.G. Zhou, C.H. Liu, J. Zeng, H.L. Zhang, and Y. Peng Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study Nanotechnology 20 2009 185504
    • (2009) Nanotechnology , vol.20 , pp. 185504
    • Zhang, Y.H.1    Chen, Y.B.2    Zhou, K.G.3    Liu, C.H.4    Zeng, J.5    Zhang, H.L.6    Peng, Y.7
  • 28
    • 84901695280 scopus 로고    scopus 로고
    • Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation
    • Y.N. Tang, Z.Y. Liu, X.Q. Dai, Z.X. Yang, W.G. Chen, D.W. Ma, and Z.S. Lu Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation Appl. Surf. Sci. 308 2014 402 407
    • (2014) Appl. Surf. Sci. , vol.308 , pp. 402-407
    • Tang, Y.N.1    Liu, Z.Y.2    Dai, X.Q.3    Yang, Z.X.4    Chen, W.G.5    Ma, D.W.6    Lu, Z.S.7
  • 29
    • 80052149095 scopus 로고    scopus 로고
    • Adsorption of gas molecules on transition metal embedded graphene: A search for high-performance graphene-based catalysts and gas sensors
    • M. Zhou, Y.H. Lu, Y.Q. Cai, C. Zhang, and Y.P. Feng Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors Nanotechnology 22 2011 385502
    • (2011) Nanotechnology , vol.22 , pp. 385502
    • Zhou, M.1    Lu, Y.H.2    Cai, Y.Q.3    Zhang, C.4    Feng, Y.P.5
  • 30
    • 77955374079 scopus 로고    scopus 로고
    • Adsorption of molecular oxygen on doped graphene: Atomic, electronic, and magnetic properties
    • J. Dai, and J. Yuan Adsorption of molecular oxygen on doped graphene: atomic, electronic, and magnetic properties Phys. Rev. B 81 2010 165414
    • (2010) Phys. Rev. B , vol.81 , pp. 165414
    • Dai, J.1    Yuan, J.2
  • 31
    • 84870155639 scopus 로고    scopus 로고
    • A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
    • Y.N. Tang, Z.X. Yang, and X.Q. Dai A theoretical simulation on the catalytic oxidation of CO on Pt/graphene Phys. Chem. Chem. Phys. 14 2012 16566 16572
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 16566-16572
    • Tang, Y.N.1    Yang, Z.X.2    Dai, X.Q.3
  • 33
    • 83755186495 scopus 로고    scopus 로고
    • Trapping of metal atoms in the defects on graphene
    • Y.N. Tang, Z.X. Yang, and X.Q. Dai Trapping of metal atoms in the defects on graphene J. Chem. Phys. 135 2011 224704
    • (2011) J. Chem. Phys. , vol.135 , pp. 224704
    • Tang, Y.N.1    Yang, Z.X.2    Dai, X.Q.3
  • 34
    • 77953132618 scopus 로고    scopus 로고
    • The impact of gas molecule adsorption on the orbital magnetic susceptibility of graphene
    • H. Mousavi The impact of gas molecule adsorption on the orbital magnetic susceptibility of graphene J. Magn. Magn. Mater. 322 2010 2533 2536
    • (2010) J. Magn. Magn. Mater. , vol.322 , pp. 2533-2536
    • Mousavi, H.1
  • 37
    • 77952364783 scopus 로고    scopus 로고
    • Modulating the electronic and magnetic structures of P-doped graphene by molecule doping
    • J. Dai, and J. Yuan Modulating the electronic and magnetic structures of P-doped graphene by molecule doping J. Phys.: Condens. Matter 22 2010 225501
    • (2010) J. Phys.: Condens. Matter , vol.22 , pp. 225501
    • Dai, J.1    Yuan, J.2
  • 38
    • 84898732686 scopus 로고    scopus 로고
    • Formation and catalytic activity of Pt supported on oxidized graphene for the CO oxidation reaction
    • Y.N. Tang, X.Q. Dai, Z.X. Yang, L.J. Pan, W.G. Chen, D.W. Ma, and Z.S. Lu Formation and catalytic activity of Pt supported on oxidized graphene for the CO oxidation reaction Phys. Chem. Chem. Phys. 16 2014 7887 7895
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 7887-7895
    • Tang, Y.N.1    Dai, X.Q.2    Yang, Z.X.3    Pan, L.J.4    Chen, W.G.5    Ma, D.W.6    Lu, Z.S.7
  • 39
    • 84875201120 scopus 로고    scopus 로고
    • Formation, stabilities, and electronic and catalytic performance of platinum catalyst supported on non-metal-doped graphene
    • Y.N. Tang, Z.X. Yang, X.Q. Dai, D.W. Ma, and Z.M. Fu Formation, stabilities, and electronic and catalytic performance of platinum catalyst supported on non-metal-doped graphene J. Phys. Chem. C 117 2013 5258 5268
    • (2013) J. Phys. Chem. C , vol.117 , pp. 5258-5268
    • Tang, Y.N.1    Yang, Z.X.2    Dai, X.Q.3    Ma, D.W.4    Fu, Z.M.5
  • 40
    • 77955854646 scopus 로고    scopus 로고
    • Trapping of metal atoms in vacancies of carbon nanotubes and graphene
    • J. Rodriguez-Manzo, O. Cretu, and F. Banhart Trapping of metal atoms in vacancies of carbon nanotubes and graphene ACS Nano 4 2010 3422 3428
    • (2010) ACS Nano , vol.4 , pp. 3422-3428
    • Rodriguez-Manzo, J.1    Cretu, O.2    Banhart, F.3
  • 42
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 6 1996 15 50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 43
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 11169 11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 44
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758 1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 45
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J. 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.1    Burke, K.2    Ernzerhof, M.3
  • 46
    • 33144465627 scopus 로고    scopus 로고
    • Structural electronic, and chemical properties of nanoporous carbon
    • J. Carlsson, and M. Scheffler Structural electronic, and chemical properties of nanoporous carbon Phys. Rev. Lett. 96 2006 46806
    • (2006) Phys. Rev. Lett. , vol.96 , pp. 46806
    • Carlsson, J.1    Scheffler, M.2
  • 47
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • G. Henkelman, A. Arnaldsson, and H. Jónsson A fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 36 2006 354 360
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jónsson, H.3
  • 48
    • 77956922640 scopus 로고    scopus 로고
    • Absorption of Pt clusters and the induced magnetic properties of graphene
    • X.Q. Dai, Y.N. Tang, J.H. Zhao, and Y.W. Dai Absorption of Pt clusters and the induced magnetic properties of graphene J. Phys.: Condens. Matter 22 2010 316005
    • (2010) J. Phys.: Condens. Matter , vol.22 , pp. 316005
    • Dai, X.Q.1    Tang, Y.N.2    Zhao, J.H.3    Dai, Y.W.4
  • 49
    • 77955149124 scopus 로고    scopus 로고
    • Magnetism of substitutional Co impurities in graphene: Realization of single pi vacancies
    • E.J.G. Santos, D. Sanchez-Portal, and A. Ayuela Magnetism of substitutional Co impurities in graphene: realization of single pi vacancies Phys. Rev. B 81 2010 125433
    • (2010) Phys. Rev. B , vol.81 , pp. 125433
    • Santos, E.J.G.1    Sanchez-Portal, D.2    Ayuela, A.3
  • 50
    • 79959377901 scopus 로고    scopus 로고
    • Noble metals induced magnetic properties of graphene
    • Y.N. Tang, Z.X. Yang, and X.Q. Dai Noble metals induced magnetic properties of graphene J. Magn. Magn. Mater. 323 2011 2441 2447
    • (2011) J. Magn. Magn. Mater. , vol.323 , pp. 2441-2447
    • Tang, Y.N.1    Yang, Z.X.2    Dai, X.Q.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.