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Volumn 24, Issue 44, 2012, Pages

Nano-ice models for the water aggregates observed on the h-BN/Rh(111) nanomesh

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL OBSERVATION; MOLECULAR DIPOLE; NANOMESH; WATER LATTICES;

EID: 84867488519     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/44/445002     Document Type: Article
Times cited : (8)

References (31)
  • 3
    • 79960419022 scopus 로고    scopus 로고
    • Investigation of boron nitride nanomesh interacting with water
    • 10.1021/jp110235y 1932-7447 C
    • Ding Y, Iannuzzi M and Hutter J 2011 Investigation of boron nitride nanomesh interacting with water J. Phys. Chem. C 115 1368592
    • (2011) J. Phys. Chem. , vol.115 , pp. 13685-13692
    • Ding, Y.1    Iannuzzi, M.2    Hutter, J.3
  • 7
    • 79955763121 scopus 로고    scopus 로고
    • Investigation of h-BN/Rh(111) nanomesh interacting with water and atomic hydrogen
    • 10.2533/chimia.2011.256 0009-4293
    • Ding Y, Iannuzzi M and Hutter J 2011 Investigation of h-BN/Rh(111) nanomesh interacting with water and atomic hydrogen Chimia 65 2569
    • (2011) Chimia , vol.65 , pp. 256-259
    • Ding, Y.1    Iannuzzi, M.2    Hutter, J.3
  • 9
    • 0001287049 scopus 로고
    • The adsorption of water on clean and oxygen-dosed Ru(001)
    • 10.1016/0039-6028(82)90331-4 0039-6028
    • Doering D L and Madey T E 1982 The adsorption of water on clean and oxygen-dosed Ru(001) Surf. Sci. 123 30537
    • (1982) Surf. Sci. , vol.123 , pp. 305-337
    • Doering, D.L.1    Madey, T.E.2
  • 10
    • 0036571188 scopus 로고    scopus 로고
    • The interaction of water with solid surfaces: Fundamental aspects revisited
    • PII S0167572901000206
    • Henderson M A 2002 The interaction of water with solid surfaces: fundamental aspects revisited Surf. Sci. Rep. 46 1308 (Pubitemid 34473319)
    • (2002) Surface Science Reports , vol.46 , Issue.1-8 , pp. 1-308
    • Henderson, M.A.1
  • 12
    • 0037420363 scopus 로고    scopus 로고
    • Different surface chemistries of water on Ru{0001}: From monomer adsorption to partially dissociated bilayers
    • DOI 10.1021/ja028855u
    • Michaelides A, Alavi A and King D A 2003 Different surface chemistries of water on Ru{0001}: from monomer adsorption to partially dissociated bilayers J. Am. Chem. Soc. 125 274655 (Pubitemid 36512260)
    • (2003) Journal of the American Chemical Society , vol.125 , Issue.9 , pp. 2746-2755
    • Michaelides, A.1    Alavi, A.2    King, D.A.3
  • 13
    • 14844316999 scopus 로고    scopus 로고
    • Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory
    • 10.1103/PhysRevLett.93.116101 0031-9007 116101
    • Cerdá J, Michaelides A, Bocquet M-L, Feibelman P J, Mitsui T, Rose M, Fomin E and Salmeron M 2004 Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory Phys. Rev. Lett. 93 116101
    • (2004) Phys. Rev. Lett. , vol.93
    • Cerdá, J.1    Michaelides, A.2    Bocquet, M.-L.3    Feibelman, P.J.4    Mitsui, T.5    Rose, M.6    Fomin, E.7    Salmeron, M.8
  • 15
    • 33646409574 scopus 로고    scopus 로고
    • Molecular structure of water at interfaces: Wetting at the nanometer scale
    • DOI 10.1021/cr040376l
    • Verdaguer A, Sacha G M, Bluhm H and Salmeron M 2006 Molecular structure of water at interfaces: wetting at the nanometer scale Chem. Rev. 106 1478510 (Pubitemid 43676515)
    • (2006) Chemical Reviews , vol.106 , Issue.4 , pp. 1478-1510
    • Verdaguer, A.1    Sacha, G.M.2    Bluhm, H.3    Salmeron, M.4
  • 16
    • 34547558968 scopus 로고    scopus 로고
    • Ice nanoclusters at hydrophobic metal surfaces
    • DOI 10.1038/nmat1940, PII NMAT1940
    • Michaelides A and Morgenstern K 2007 Ice nanoclusters at hydrophobic metal surfaces Nature Mater. 6 597601 (Pubitemid 47197681)
    • (2007) Nature Materials , vol.6 , Issue.8 , pp. 597-601
    • Michaelides, A.1    Morgenstern, K.2
  • 19
    • 84867554784 scopus 로고    scopus 로고
    • CP2K version 2.2.426 (release version), the CP2K developers group 2012 CP2K is freely available from
    • -CP2K version 2.2.426 (release version), the CP2K developers group 2012 CP2K is freely available from: www.cp2k.org
  • 20
    • 0000620023 scopus 로고    scopus 로고
    • A hybrid Gaussian and plane wave density functional scheme
    • Lippert G, Hutter J and Parrinello M 1997 A hybrid Gaussian and plane wave density functional scheme Mol. Phys. 92 47788
    • (1997) Mol. Phys. , vol.92 , pp. 477-488
    • Lippert, G.1    Hutter, J.2    Parrinello, M.3
  • 21
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J P, Burke K and Ernzerhof M 1996 Generalized gradient approximation made simple Phys. Rev. Lett. 77 38658 (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 22
    • 85029400214 scopus 로고    scopus 로고
    • Comment on generalized gradient approximation made simple'
    • 10.1103/PhysRevLett.80.890 0031-9007
    • Zhang Y K and Yang W T 1998 Comment on generalized gradient approximation made simple Phys. Rev. Lett. 80 8900
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 890-890
    • Zhang, Y.K.1    Yang, W.T.2
  • 23
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • Grimme S 2006 Semiempirical GGA-type density functional constructed with a long-range dispersion correction J. Comput. Chem. 27 178799 (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 24
    • 0000160164 scopus 로고    scopus 로고
    • Separable dual-space Gaussian pseudopotentials
    • 10.1103/PhysRevB.54.1703 0163-1829
    • Goedecker S, Teter M and Hutter J 1996 Separable dual-space Gaussian pseudopotentials Phys. Rev. B 54 170310
    • (1996) Phys. Rev. B , vol.54 , pp. 1703-1710
    • Goedecker, S.1    Teter, M.2    Hutter, J.3
  • 26
    • 25144446255 scopus 로고    scopus 로고
    • Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
    • DOI 10.1007/s00214-005-0655-y
    • Krack M 2005 Pseudopotentials for H to Kr optimized for gradient-corrected exchangecorrelation functionals Theor. Chem. Acc. 114 14552 (Pubitemid 41355884)
    • (2005) Theoretical Chemistry Accounts , vol.114 , Issue.1-3 , pp. 145-152
    • Krack, M.1
  • 27
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
    • DOI 10.1063/1.2770708
    • VandeVondele J and Hutter J 2007 Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases J. Chem. Phys. 127 114105 (Pubitemid 47461992)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.11 , pp. 114105
    • VandeVondele, J.1    Hutter, J.2
  • 28
    • 84890021933 scopus 로고
    • Calculation of small molecular interactions by differences of separate total energies - Some procedures with reduced errors
    • 10.1080/00268977000101561 0026-8976
    • Boys S F and Bernardi F 1970 Calculation of small molecular interactions by differences of separate total energies - some procedures with reduced errors Mol. Phys. 19 553
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 29
    • 18344373200 scopus 로고
    • Theory and application for the scanning tunneling microscope
    • 10.1103/PhysRevLett.50.1998 0031-9007
    • Tersoff J and Hamann D R 1983 Theory and application for the scanning tunneling microscope Phys. Rev. Lett. 50 19982001
    • (1983) Phys. Rev. Lett. , vol.50 , pp. 1998-2001
    • Tersoff, J.1    Hamann, D.R.2
  • 30
    • 33744607543 scopus 로고
    • Theory of the scanning tunneling microscope
    • 10.1103/PhysRevB.31.805 0163-1829
    • Tersoff J and Hamann D R 1985 Theory of the scanning tunneling microscope Phys. Rev. B 31 80513
    • (1985) Phys. Rev. B , vol.31 , pp. 805-813
    • Tersoff, J.1    Hamann, D.R.2
  • 31
    • 4243690324 scopus 로고    scopus 로고
    • Maximally localized generalized Wannier functions for composite energy bands
    • 10.1103/PhysRevB.56.12847 0163-1829
    • Marzari N and Vanderbilt D 1997 Maximally localized generalized Wannier functions for composite energy bands Phys. Rev. B 56 1284765
    • (1997) Phys. Rev. B , vol.56 , pp. 12847-12865
    • Marzari, N.1    Vanderbilt, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.