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Volumn 118, Issue 16, 2014, Pages 8455-8461

Graphene supported on hematite surfaces: A density functional study

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ADSORPTION; ALKALI METALS; ATOMS; CHARGE TRANSFER; FERMI LEVEL; HEMATITE;

EID: 84899584700     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp501171t     Document Type: Article
Times cited : (12)

References (30)
  • 1
    • 84855468017 scopus 로고    scopus 로고
    • The surface science of graphene: Metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects
    • Batzill, M. The surface science of graphene: Metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects Surf. Sci. Rep. 2012, 67, 83-115
    • (2012) Surf. Sci. Rep. , vol.67 , pp. 83-115
    • Batzill, M.1
  • 2
    • 84856814044 scopus 로고    scopus 로고
    • Graphene/metal oxide composite electrode materials for energy storage
    • Wu, Z.-S.; Zhou, G.; Yin, L.-C.; Ren, W.; Li, F.; Cheng, H.-M. Graphene/metal oxide composite electrode materials for energy storage Nano Energy 2012, 1, 107-131
    • (2012) Nano Energy , vol.1 , pp. 107-131
    • Wu, Z.-S.1    Zhou, G.2    Yin, L.-C.3    Ren, W.4    Li, F.5    Cheng, H.-M.6
  • 9
    • 84864042203 scopus 로고    scopus 로고
    • 3 nanoparticles anchored on graphene with 3D quasi-laminated architecture: In situ wet chemistry synthesis and enhanced electrochemical performance for lithium ion batteries
    • 3 nanoparticles anchored on graphene with 3D quasi-laminated architecture: In situ wet chemistry synthesis and enhanced electrochemical performance for lithium ion batteries New J. Chem. 2012, 36, 1589-1595
    • (2012) New J. Chem. , vol.36 , pp. 1589-1595
    • Chen, D.1    Wei, W.2    Wang, R.3    Zhu, J.4    Guo, L.5
  • 10
    • 79955384613 scopus 로고    scopus 로고
    • 3 composite as a high-performance anode material for lithium ion batteries
    • 3 composite as a high-performance anode material for lithium ion batteries ACS Nano 2011, 5, 3333-3338
    • (2011) ACS Nano , vol.5 , pp. 3333-3338
    • Zhu, X.1    Zhu, Y.2    Murali, S.3    Stoller, M.D.4    Ruoff, R.S.5
  • 12
    • 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
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 13
    • 0001437693 scopus 로고
    • Band theory and Mott insulators: Hubbard U instead of Stoner i
    • Anisimov, V. I.; Zaanen, J.; Andersen, O. K. Band theory and Mott insulators: Hubbard U instead of Stoner I Phys. Rev B 1991, 44, 943
    • (1991) Phys. Rev B , vol.44 , pp. 943
    • Anisimov, V.I.1    Zaanen, J.2    Andersen, O.K.3
  • 14
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Phys. Rev. B 1990, 41, 7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 15
    • 36048949244 scopus 로고    scopus 로고
    • Ultrasoft pseudopotentials in time-dependent density-functional theory
    • Walker, B.; Gebauer, R. Ultrasoft pseudopotentials in time-dependent density-functional theory J. Chem. Phys. 2007, 127, 164106
    • (2007) J. Chem. Phys. , vol.127 , pp. 164106
    • Walker, B.1    Gebauer, R.2
  • 16
    • 0034513054 scopus 로고    scopus 로고
    • A climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • Henkelman, G.; Uberuaga, B. P.; Jónsson, H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths J. Chem. Phys. 2000, 113, 9901-9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jónsson, H.3
  • 17
    • 78650127876 scopus 로고    scopus 로고
    • An ab initio insight into the Cu(111)-mediated Ullmann reaction
    • Nguyen, M.-T; Pignedoli, C. A.; Passerone, D. An ab initio insight into the Cu(111)-mediated Ullmann reaction Phys. Chem. Chem. Phys. 2011, 13, 154-160
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 154-160
    • Nguyen, M.-T.1    Pignedoli, C.A.2    Passerone, D.3
  • 18
    • 33645508964 scopus 로고    scopus 로고
    • Theoretical surface science and catalysis-Calculations and concepts
    • Hammer, B.; Nørkov, J. K. Theoretical surface science and catalysis-Calculations and concepts Adv. Catal. 2000, 45, 71-129
    • (2000) Adv. Catal. , vol.45 , pp. 71-129
    • Hammer, B.1    Nørkov, J.K.2
  • 20
    • 84866406354 scopus 로고    scopus 로고
    • Two-dimensional nucleation and growth mechanism explaining graphene oxide structures
    • Nguyen, M.-T.; Erni, R.; Passerone, D. Two-dimensional nucleation and growth mechanism explaining graphene oxide structures Phys. Rev. B 2012, 86, 115406
    • (2012) Phys. Rev. B , vol.86 , pp. 115406
    • Nguyen, M.-T.1    Erni, R.2    Passerone, D.3
  • 22
    • 65449183764 scopus 로고    scopus 로고
    • A grid-based Bader analysis algorithm without lattice bias
    • Tang, W.; Sanville, E.; Henkelman, G. A grid-based Bader analysis algorithm without lattice bias. J. Phys.: Condens. Matter 2009, 21, 084204. http://theory.cm.utexas.edu/bader/.
    • (2009) J. Phys.: Condens. Matter , vol.21 , pp. 084204
    • Tang, W.1    Sanville, E.2    Henkelman, G.3
  • 24
    • 84863927337 scopus 로고    scopus 로고
    • Determination of graphene work function and graphene-insulator- semiconductor band alignment by internal photoemission spectroscopy
    • Yan, R.; Zhang, Q.; Li, W.; Calizo, I.; Shen, T.; Richter, C. A.; Hight-Walker, A. R.; Liang, X.; Seabaugh, A.; Jena, D. Determination of graphene work function and graphene-insulator-semiconductor band alignment by internal photoemission spectroscopy Appl. Phys. Lett. 2012, 101, 022105
    • (2012) Appl. Phys. Lett. , vol.101 , pp. 022105
    • Yan, R.1    Zhang, Q.2    Li, W.3    Calizo, I.4    Shen, T.5    Richter, C.A.6    Hight-Walker, A.R.7    Liang, X.8    Seabaugh, A.9    Jena, D.10
  • 25
    • 77954869049 scopus 로고    scopus 로고
    • Hydrogen on graphene under stress: Molecular dissociation and gap opening
    • McKay, H.; Wales, D. J.; Jenkins, S. J.; Verges, J. A.; de Andres, P. L. Hydrogen on graphene under stress: Molecular dissociation and gap opening Phys. Rev. B 2010, 81, 075425
    • (2010) Phys. Rev. B , vol.81 , pp. 075425
    • McKay, H.1    Wales, D.J.2    Jenkins, S.J.3    Verges, J.A.4    De Andres, P.L.5
  • 26
  • 28
    • 84884179930 scopus 로고    scopus 로고
    • An ab initio study of oxygen on strained graphene
    • Nguyen, M.-T. An ab initio study of oxygen on strained graphene J. Phys.: Condens. Matter 2013, 25, 395301
    • (2013) J. Phys.: Condens. Matter , vol.25 , pp. 395301
    • Nguyen, M.-T.1
  • 29
    • 84875746513 scopus 로고    scopus 로고
    • Oxygen monomers and dimers at gas-phase and Ag(111)-supported nanographenes: A density functional theory study
    • Nguyen, M.-T. Oxygen monomers and dimers at gas-phase and Ag(111)-supported nanographenes: A density functional theory study J. Appl. Phys. 2013, 113, 114307
    • (2013) J. Appl. Phys. , vol.113 , pp. 114307
    • Nguyen, M.-T.1
  • 30
    • 45749127809 scopus 로고    scopus 로고
    • First-principles study of metal adatom adsorption on graphene
    • Chan, K. T.; Neaton, J. B.; Cohen, M. L. First-principles study of metal adatom adsorption on graphene Phys. Rev. B 2008, 77, 235430
    • (2008) Phys. Rev. B , vol.77 , pp. 235430
    • Chan, K.T.1    Neaton, J.B.2    Cohen, M.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.