메뉴 건너뛰기




Volumn 5, Issue , 2014, Pages

Water clustering on nanostructured iron oxide films

Author keywords

[No Author keywords available]

Indexed keywords

HYDROXYL GROUP; IRON OXIDE; NANOMATERIAL; WATER;

EID: 84903691820     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms5193     Document Type: Article
Times cited : (62)

References (64)
  • 1
    • 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. & Salmeron, M. Molecular structure of water at interface (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
  • 2
    • 0142055513 scopus 로고
    • The interaction of water with solid surfaces: Fundamental aspects
    • Thiel, P. A. & Madey, T. E. The interaction of water with solid surfaces: Fundamental aspects. Surf. Sci. Rep. 7, 211-385 (1987).
    • (1987) Surf. Sci. Rep. , vol.7 , pp. 211-385
    • Thiel, P.A.1    Madey, T.E.2
  • 3
    • 0036571188 scopus 로고    scopus 로고
    • The interaction of water with solid surfaces: Fundamental aspects revisited
    • PII S0167572901000206
    • Henderson, M. A. The interaction of water with solid surfaces: fundamental aspects revisited. Surf. Sci. Rep. 46, 1-308 (2002). (Pubitemid 34473319)
    • (2002) Surface Science Reports , vol.46 , Issue.1-8 , pp. 1-308
    • Henderson, M.A.1
  • 4
    • 69549088663 scopus 로고    scopus 로고
    • Water adsorption and the wetting of metal surfaces
    • Hodgson, A. & Haq, S. Water adsorption and the wetting of metal surfaces. Surf. Sci. Rep. 64, 381-451 (2009).
    • (2009) Surf. Sci. Rep. , vol.64 , pp. 381-451
    • Hodgson, A.1    Haq, S.2
  • 5
    • 84864327100 scopus 로고    scopus 로고
    • A molecular perspective of water at metal interfaces
    • Carrasco, J., Hodgson, A. & Michaelides, A. A molecular perspective of water at metal interfaces. Nat. Mater. 11, 667-674 (2012).
    • (2012) Nat. Mater. , vol.11 , pp. 667-674
    • Carrasco, J.1    Hodgson, A.2    Michaelides, A.3
  • 6
    • 65349090991 scopus 로고    scopus 로고
    • A one-dimensional ice structure built from pentagons
    • Carrasco, J. et al. A one-dimensional ice structure built from pentagons. Nat. Mater. 8, 427-431 (2009).
    • (2009) Nat. Mater. , vol.8 , pp. 427-431
    • Carrasco, J.1
  • 7
    • 77954556671 scopus 로고    scopus 로고
    • Pentagons and heptagons in the first water layer on Pt(111)
    • Nie, S., Feibelman, P. J., Bartelt, N. C. & Thürmer, K. Pentagons and heptagons in the first water layer on Pt(111). Phys. Rev. Lett. 105, 026102 (2010).
    • (2010) Phys. Rev. Lett. , vol.105 , pp. 026102
    • Nie, S.1    Feibelman, P.J.2    Bartelt, N.C.3    Thürmer, K.4
  • 8
    • 14844316999 scopus 로고    scopus 로고
    • Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory
    • Cerdá, J. et al. Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory. Phys. Rev. Lett. 93, 116101 (2004).
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 116101
    • Cerdá, J.1
  • 9
    • 67650738983 scopus 로고    scopus 로고
    • Nucleation and growth of 1D water clusters on rutile TiO2(011)- (2-1)
    • He, Y. et al. Nucleation and growth of 1D water clusters on rutile TiO2(011)- (2-1). J. Phys. Chem. C 113, 10329-10332 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , pp. 10329-10332
    • He, Y.1
  • 10
    • 0002515371 scopus 로고    scopus 로고
    • Metal oxide surfaces and their interactions with aqueous solutions and microbial organisms
    • Brown, G. E. et al. Metal oxide surfaces and their interactions with aqueous solutions and microbial organisms. Chem. Rev. 99, 77-174 (1999).
    • (1999) Chem. Rev. , vol.99 , pp. 77-174
    • Brown, G.E.1
  • 11
    • 57449101075 scopus 로고    scopus 로고
    • Water growth on metals and oxides: Binding, dissociation and role of hydroxyl groups
    • Salmeron, M. et al. Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups. Faraday Discuss. 141, 221-229 (2009).
    • (2009) Faraday Discuss. , vol.141 , pp. 221-229
    • Salmeron, M.1
  • 12
    • 0000449288 scopus 로고    scopus 로고
    • 4(111): Adsorption Behavior on Different Surface Terminations
    • DOI 10.1021/jp9932012
    • Joseph, Y., Ranke, W. & Weiss, W. Water on FeO(111) and Fe3O4(111): adsorption behavior on different surface terminations. J. Phys. Chem. B 104, 3224-3236 (2000). (Pubitemid 33685525)
    • (2000) Journal of Physical Chemistry B , vol.104 , Issue.14 , pp. 3224-3236
    • Joseph, Y.1    Ranke, W.2    Weiss, W.3
  • 13
    • 84868097950 scopus 로고    scopus 로고
    • Oxygen vacancy-induced novel low-temperature water splitting reactions on FeO(111) monolayer-thick film
    • Xu, L. et al. Oxygen vacancy-induced novel low-temperature water splitting reactions on FeO(111) monolayer-thick film. J. Phys. Chem. C 116, 22921-22929 (2012).
    • (2012) J. Phys. Chem. C , vol.116 , pp. 22921-22929
    • Xu, L.1
  • 16
    • 84869461895 scopus 로고    scopus 로고
    • Scanning tunneling microscopy and theoretical study of water adsorption on Fe3O4: Implications for catalysis
    • Rim, K. T. et al. Scanning tunneling microscopy and theoretical study of water adsorption on Fe3O4: implications for catalysis. J. Am. Chem. Soc. 134, 18979-18985 (2012).
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 18979-18985
    • Rim, K.T.1
  • 17
    • 66249148695 scopus 로고    scopus 로고
    • Formation and diffusion of water dimers on rutile TiO2(110)
    • Matthiesen, J. et al. Formation and diffusion of water dimers on rutile TiO2(110). Phys. Rev. Lett. 102, 226101 (2009).
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 226101
    • Matthiesen, J.1
  • 18
    • 75249096878 scopus 로고    scopus 로고
    • Nano-ice on boron nitride nanomesh: Accessing proton disorder
    • Ma, H. et al. Nano-ice on boron nitride nanomesh: accessing proton disorder. ChemPhysChem 11, 399-403 (2010).
    • (2010) ChemPhysChem , vol.11 , pp. 399-403
    • Ma, H.1
  • 19
    • 65249095508 scopus 로고    scopus 로고
    • Desorption of H2O from flat and stepped Pt(111)
    • Picolin, A. et al. Desorption of H2O from flat and stepped Pt(111). J. Phys. Chem. C 113, 691-697 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , pp. 691-697
    • Picolin, A.1
  • 20
    • 0000849671 scopus 로고
    • Structure, composition and chemisorption studies of thin ordered iron-oxide films on platinum(111)
    • Vurens, G. H., Salmeron, M. & Somorjai, G. A. Structure, composition and chemisorption studies of thin ordered iron-oxide films on platinum(111). Surf. Sci. 201, 129-144 (1988).
    • (1988) Surf. Sci. , vol.201 , pp. 129-144
    • Vurens, G.H.1    Salmeron, M.2    Somorjai, G.A.3
  • 21
    • 0027846761 scopus 로고
    • The structure of monolayer films of FeO on Pt(111)
    • Galloway, H. C., Benitez, J. J. & Salmeron, M. The structure of monolayer films of FeO on Pt(111). Surf. Sci. 298, 127-133 (1993).
    • (1993) Surf. Sci. , vol.298 , pp. 127-133
    • Galloway, H.C.1    Benitez, J.J.2    Salmeron, M.3
  • 22
    • 28244444491 scopus 로고    scopus 로고
    • Surface potential of a polar oxide film: FeO on Pt(111)
    • Rienks, E. D. L., Nilius, N., Rust, H.-P. & Freund, H.-J. Surface potential of a polar oxide film: FeO on Pt(111). Phys. Rev. B 71, 241404 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 241404
    • Rienks, E.D.L.1    Nilius, N.2    Rust, H.-P.3    Freund, H.-J.4
  • 23
    • 27144481939 scopus 로고    scopus 로고
    • Self-organization of gold atoms on a polar FeO(111) surface
    • Nilius, N., Rienks, E. D. L., Rust, H. P. & Freund, H.-J. Self-organization of gold atoms on a polar FeO(111) surface. Phys. Rev. Lett. 95, 066101 (2005).
    • (2005) Phys. Rev. Lett. , vol.95 , pp. 066101
    • Nilius, N.1    Rienks, E.D.L.2    Rust, H.P.3    Freund, H.-J.4
  • 24
    • 54249151938 scopus 로고    scopus 로고
    • Self-assembly of MgPc molecules on polar FeO thin films
    • Lin, X. & Nilius, N. Self-assembly of MgPc molecules on polar FeO thin films. J. Phys. Chem. C 112, 15325-15328 (2008).
    • (2008) J. Phys. Chem. C , vol.112 , pp. 15325-15328
    • Lin, X.1    Nilius, N.2
  • 26
    • 0038792290 scopus 로고    scopus 로고
    • Water adsorption and growth of ice on epitaxial Fe3O4(111), FeO(111) and Fe2O3(biphase)
    • Leist, U., Ranke, W. & Al-Shamery, K. Water adsorption and growth of ice on epitaxial Fe3O4(111), FeO(111) and Fe2O3(biphase). Phys. Chem. Chem. Phys. 5, 2435-2441 (2003).
    • (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2435-2441
    • Leist, U.1    Ranke, W.2    Al-Shamery, K.3
  • 27
    • 32444448694 scopus 로고    scopus 로고
    • 4(1 1 1) films by atomic hydrogen
    • DOI 10.1016/j.susc.2005.11.026, PII S0039602805013245
    • Huang, W. X. & Ranke, W. Autocatalytic partial reduction of FeO(111) and Fe3O4(111) films by atomic hydrogen. Surf. Sci. 600, 793-802 (2006). (Pubitemid 43227242)
    • (2006) Surface Science , vol.600 , Issue.4 , pp. 793-802
    • Huang, W.1    Ranke, W.2
  • 28
    • 70449823343 scopus 로고    scopus 로고
    • Reduction of FeO/Pt(111) thin films by exposure to atomic hydrogen
    • Knudsen, J. et al. Reduction of FeO/Pt(111) thin films by exposure to atomic hydrogen. Surf. Sci. 604, 11-20 (2010).
    • (2010) Surf. Sci. , vol.604 , pp. 11-20
    • Knudsen, J.1
  • 29
    • 84861207397 scopus 로고    scopus 로고
    • Water-mediated proton hopping on an iron oxide surface
    • Merte, L. R. et al. Water-mediated proton hopping on an iron oxide surface. Science 336, 889-893 (2012).
    • (2012) Science , vol.336 , pp. 889-893
    • Merte, L.R.1
  • 30
    • 79952659310 scopus 로고    scopus 로고
    • Tip-dependent scanning tunneling microscopy imaging of ultrathin FeO films on Pt(111)
    • Merte, L. R. et al. Tip-dependent scanning tunneling microscopy imaging of ultrathin FeO films on Pt(111). J. Phys. Chem. C 115, 2089-2099 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , pp. 2089-2099
    • Merte, L.R.1
  • 31
    • 58249095272 scopus 로고    scopus 로고
    • Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(111)
    • Merte, L. R. et al. Correlating STM contrast and atomic-scale structure by chemical modification: vacancy dislocation loops on FeO/Pt(111). Surf. Sci. 603, L15-L18 (2009).
    • (2009) Surf. Sci. , vol.603
    • Merte, L.R.1
  • 32
    • 48249107946 scopus 로고    scopus 로고
    • Charging of metal adatoms on ultrathin oxide films: Au and Pd on FeO/Pt(111)
    • Giordano, L. et al. Charging of Metal Adatoms on Ultrathin Oxide Films: Au and Pd on FeO/Pt(111). Phys. Rev. Lett. 101, 026102 (2008).
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 026102
    • Giordano, L.1
  • 33
    • 34548259162 scopus 로고    scopus 로고
    • Effect of surface polarity on water contact angle and interfacial hydration structure
    • DOI 10.1021/jp071957s
    • Giovambattista, N., Debenedetti, P. G. & Rossky, P. J. Effect of surface polarity on water contact angle and interfacial hydration structure. J. Phys. Chem. B 111, 9581-9587 (2007). (Pubitemid 47317885)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.32 , pp. 9581-9587
    • Giovambattista, N.1    Debenedetti, P.G.2    Rossky, P.J.3
  • 34
    • 6444232536 scopus 로고
    • Polarization of water molecules at a charged interface: Second harmonic studies of the silica/water interface
    • Ong, S., Zhao, X. & Eisenthal, K. B. Polarization of water molecules at a charged interface: second harmonic studies of the silica/water interface. Chem. Phys. Lett. 191, 327-335 (1992).
    • (1992) Chem. Phys. Lett. , vol.191 , pp. 327-335
    • Ong, S.1    Zhao, X.2    Eisenthal, K.B.3
  • 35
    • 34547558968 scopus 로고    scopus 로고
    • Ice nanoclusters at hydrophobic metal surfaces
    • DOI 10.1038/nmat1940, PII NMAT1940
    • Michaelides, A. & Morgenstern, K. Ice nanoclusters at hydrophobic metal surfaces. Nat. Mater. 6, 597-601 (2007). (Pubitemid 47197681)
    • (2007) Nature Materials , vol.6 , Issue.8 , pp. 597-601
    • Michaelides, A.1    Morgenstern, K.2
  • 36
    • 0033963566 scopus 로고    scopus 로고
    • Formation of cyclic water hexamer in liquid helium: The smallest piece of ice
    • DOI 10.1126/science.287.5451.293
    • Nauta, K. & Miller, R. E. Formation of cyclic water hexamer in liquid helium: the smallest piece of ice. Science 287, 293-295 (2000). (Pubitemid 30046753)
    • (2000) Science , vol.287 , Issue.5451 , pp. 293-295
    • Nauta, K.1    Miller, R.E.2
  • 38
    • 79952759326 scopus 로고    scopus 로고
    • Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture
    • Zhao, H.-X. et al. Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture. Proc. Natl Acad. Sci. USA 108, 3481-3486 (2011).
    • (2011) Proc. Natl Acad. Sci. USA , vol.108 , pp. 3481-3486
    • Zhao, H.-X.1
  • 41
    • 36148992273 scopus 로고    scopus 로고
    • On the accuracy of densityfunctional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
    • Santra, B., Michaelides, A. & Scheffler, M. On the accuracy of densityfunctional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit. J. Chem. Phys. 127, 184104 (2007).
    • (2007) J. Chem. Phys. , vol.127 , pp. 184104
    • Santra, B.1    Michaelides, A.2    Scheffler, M.3
  • 42
    • 84886886280 scopus 로고    scopus 로고
    • Hydrogen bond cooperativity in water hexamers: Atomic energy perspective of local stabilities
    • Albrecht, L., Chowdhury, S. & Boyd, R. J. Hydrogen bond cooperativity in water hexamers: atomic energy perspective of local stabilities. J. Phys. Chem. A 117, 10790-10799 (2013).
    • (2013) J. Phys. Chem. A , vol.117 , pp. 10790-10799
    • Albrecht, L.1    Chowdhury, S.2    Boyd, R.J.3
  • 43
    • 35048835209 scopus 로고    scopus 로고
    • Quantum calculations on hydrogen bonds in certain water clusters show cooperative effects
    • Znamenskiy, V. S. & Green, M. E. Quantum calculations on hydrogen bonds in certain water clusters show cooperative effects. J. Chem. Theory Comput. 3, 103-114 (2007).
    • (2007) J. Chem. Theory Comput. , vol.3 , pp. 103-114
    • Znamenskiy, V.S.1    Green, M.E.2
  • 44
    • 61849159407 scopus 로고    scopus 로고
    • Predicting hydrogen-bond strengths from acid-base molecular properties. The pKa slide rule: Toward the solution of a long-lasting problem
    • Gilli, P., Pretto, L., Bertolasi, V. & Gilli, G. Predicting hydrogen-bond strengths from acid-base molecular properties. The pKa slide rule: toward the solution of a long-lasting problem. Acc. Chem. Res. 42, 33-44 (2009).
    • (2009) Acc. Chem. Res. , vol.42 , pp. 33-44
    • Gilli, P.1    Pretto, L.2    Bertolasi, V.3    Gilli, G.4
  • 45
    • 0000176082 scopus 로고    scopus 로고
    • Partial dissociation of water molecules in the (3×2) water monolayer deposited on the MgO (100) surface
    • Giordano, L., Goniakowski, J. & Suzanne, J. Partial dissociation of water molecules in the (3-2) water monolayer deposited on the MgO(100) surface. Phys. Rev. Lett. 81, 1271-1273 (1998). (Pubitemid 128628960)
    • (1998) Physical Review Letters , vol.81 , Issue.6 , pp. 1271-1273
    • Giordano, L.1    Goniakowski, J.2    Suzanne, J.3
  • 46
    • 77957740481 scopus 로고    scopus 로고
    • Substrate-induced cooperative effects in water adsorption from density functional calculations
    • Cabrera-Sanfelix, P., Fernández-Serra, M. V., Arnau, A. & Sánchez-Portal, D. Substrate-induced cooperative effects in water adsorption from density functional calculations. Phys. Rev. B 82, 125432 (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 125432
    • Cabrera-Sanfelix, P.1    Fernández-Serra, M.V.2    Arnau, A.3    Sánchez-Portal, D.4
  • 47
    • 1442307098 scopus 로고    scopus 로고
    • Hydrogen bonding in mixed OH+H2O overlayers on Pt(111)
    • Clay, C., Haq, S. & Hodgson, A. Hydrogen bonding in mixed OH+H2O overlayers on Pt(111). Phys. Rev. Lett. 92, 046102 (2004).
    • (2004) Phys. Rev. Lett. , vol.92 , pp. 046102
    • Clay, C.1    Haq, S.2    Hodgson, A.3
  • 48
    • 0034789429 scopus 로고    scopus 로고
    • Catalytic water formation on platinum: A first-principles study
    • DOI 10.1021/ja003576x
    • Michaelides, A. & Hu, P. Catalytic water formation on platinum: a firstprinciples study. J. Am. Chem. Soc. 123, 4235-4242 (2001). (Pubitemid 32899443)
    • (2001) Journal of the American Chemical Society , vol.123 , Issue.18 , pp. 4235-4242
    • Michaelides, A.1    Hu, P.2
  • 49
    • 28844451617 scopus 로고    scopus 로고
    • Crystalline ice growth on Pt(111): Observation of a hydrophobic water monolayer
    • Kimmel, G. A., Petrik, N. G., Dohnálek, Z. & Kay, B. D. Crystalline ice growth on Pt(111): observation of a hydrophobic water monolayer. Phys. Rev. Lett. 95, 166102 (2005).
    • (2005) Phys. Rev. Lett. , vol.95 , pp. 166102
    • Kimmel, G.A.1    Petrik, N.G.2    Dohnálek, Z.3    Kay, B.D.4
  • 50
    • 69849113628 scopus 로고    scopus 로고
    • No confinement needed: Observation of a metastable hydrophobic wetting two-layer ice on grapheme
    • Kimmel, G. A. et al. No confinement needed: observation of a metastable hydrophobic wetting two-layer ice on graphene. J. Am. Chem. Soc. 131, 12838-12844 (2009).
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 12838-12844
    • Kimmel, G.A.1
  • 51
    • 39149133978 scopus 로고    scopus 로고
    • Water on the hydroxylated (001) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer
    • Hu, X. L. & Michaelides, A. Water on the hydroxylated (001) surface of kaolinite: from monomer adsorption to a flat 2D wetting layer. Surf. Sci. 602, 960-974 (2008).
    • (2008) Surf. Sci. , vol.602 , pp. 960-974
    • Hu, X.L.1    Michaelides, A.2
  • 52
    • 84875756637 scopus 로고    scopus 로고
    • Viscosity of ultrathin water films confined between aluminol surfaces of kaolinite: Ab initio simulations
    • Feibelman, P. J. Viscosity of ultrathin water films confined between aluminol surfaces of kaolinite: ab initio simulations. J. Phys. Chem. C 117, 6088-6095 (2013).
    • (2013) J. Phys. Chem. C , vol.117 , pp. 6088-6095
    • Feibelman, P.J.1
  • 53
    • 84875728320 scopus 로고    scopus 로고
    • Viscosity of nanoconfined water between hydroxyl basal surfaces of kaolinite: Classical simulation results
    • Haria, N. R., Grest, G. S. & Lorenz, C. D. Viscosity of nanoconfined water between hydroxyl basal surfaces of kaolinite: classical simulation results. J. Phys. Chem. C 117, 6096-6104 (2013).
    • (2013) J. Phys. Chem. C , vol.117 , pp. 6096-6104
    • Haria, N.R.1    Grest, G.S.2    Lorenz, C.D.3
  • 54
    • 21144470444 scopus 로고
    • Preparation and structure of 1-8 monolayer thick epitaxial iron oxide films grown on Pt(111)
    • Weiss, W. & Somorjai, G. A. Preparation and structure of 1-8 monolayer thick epitaxial iron oxide films grown on Pt(111). J. Vac. Sci. Technol. A 11, 2138-2144 (1993).
    • (1993) J. Vac. Sci. Technol. A , vol.11 , pp. 2138-2144
    • Weiss, W.1    Somorjai, G.A.2
  • 55
    • 84986665709 scopus 로고
    • A fully automated, thimble-size scanning tunnelling microscope
    • Lagsgaard, E., Besenbacher, F., Mortensen, K. & Stensgaard, I. A fully automated, thimble-size scanning tunnelling microscope. J. Microsc. 152, 663-669 (1988).
    • (1988) J. Microsc. , vol.152 , pp. 663-669
    • Lagsgaard, E.1    Besenbacher, F.2    Mortensen, K.3    Stensgaard, I.4
  • 56
    • 82555168165 scopus 로고    scopus 로고
    • Gwyddion: An open-source software for SPM data analysis
    • Nečas, D. & Klapetek, P. Gwyddion: an open-source software for SPM data analysis. Cent. Eur. J. Phys. 10, 181-188 (2012).
    • (2012) Cent. Eur. J. Phys. , vol.10 , pp. 181-188
    • Nečas, D.1    Klapetek, P.2
  • 57
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 58
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15-50 (1996). (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 60
    • 34548034932 scopus 로고    scopus 로고
    • Interplay between structural magnetic, and electronic properties in a FeO/Pt(111) ultrathin film
    • Giordano, L. et al. Interplay between structural, magnetic, and electronic properties in a FeO/Pt(111) ultrathin film. Phys. Rev. B 76, 075416 (2007).
    • (2007) Phys. Rev. B , vol.76 , pp. 075416
    • Giordano, L.1
  • 61
    • 67049171543 scopus 로고    scopus 로고
    • First principles study on the geometric and electronic structures of the FeO/Pt (111) surface
    • Zhang, W., Li, Z., Luo, Y. & Yang, J. First principles study on the geometric and electronic structures of the FeO/Pt (111) surface. J. Phys. Chem. C 113, 8302-8305 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , pp. 8302-8305
    • Zhang, W.1    Li, Z.2    Luo, Y.3    Yang, J.4
  • 62
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 63
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 64
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • Perdew, J. P. & Wang, Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B 45, 13244-13249 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.