메뉴 건너뛰기




Volumn 70, Issue 21, 2006, Pages 5285-5292

A simple model for the effect of hydration on the distribution of ferrous iron at reduced hematite (0 1 2) surfaces

Author keywords

[No Author keywords available]

Indexed keywords

HEMATITE; HYDRATION; HYDROLYSIS; IRON; POTENTIAL ENERGY;

EID: 33750313383     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2006.08.022     Document Type: Article
Times cited : (15)

References (33)
  • 2
    • 36549091825 scopus 로고
    • Nonadditivity of ab-initio pair potentials for molecular dynamics of multivalent transition metal ions in water
    • Curtiss L.A., Halley J.W., Hautman J., and Rahman A. Nonadditivity of ab-initio pair potentials for molecular dynamics of multivalent transition metal ions in water. J. Chem. Phys. 86 (1987) 2319-2327
    • (1987) J. Chem. Phys. , vol.86 , pp. 2319-2327
    • Curtiss, L.A.1    Halley, J.W.2    Hautman, J.3    Rahman, A.4
  • 3
    • 0001786236 scopus 로고
    • Simulation of electrostatic systems in periodic boundary-conditions: 1. Lattice sums and dielectric-constants
    • deLeeuw S.W., Perram J.W., and Smith E.R. Simulation of electrostatic systems in periodic boundary-conditions: 1. Lattice sums and dielectric-constants. Proc. R. Soc. London, A-Math., Phys., Eng. Sci. 373 (1980) 27-56
    • (1980) Proc. R. Soc. London, A-Math., Phys., Eng. Sci. , vol.373 , pp. 27-56
    • deLeeuw, S.W.1    Perram, J.W.2    Smith, E.R.3
  • 4
    • 0000390524 scopus 로고
    • Kinetics of chromate reduction by ferrous-ions derived from hematite and biotite at 25 °C
    • Eary L.E., and Rai D. Kinetics of chromate reduction by ferrous-ions derived from hematite and biotite at 25 °C. Am. J. Sci. 289 (1989) 180-213
    • (1989) Am. J. Sci. , vol.289 , pp. 180-213
    • Eary, L.E.1    Rai, D.2
  • 5
    • 0033406711 scopus 로고    scopus 로고
    • 3 (0 0 1) by scanning tunneling microscopy: implications for interfacial electron transfer reactions
    • 3 (0 0 1) by scanning tunneling microscopy: implications for interfacial electron transfer reactions. Am. Mineral. 84 (1999) 1061-1070
    • (1999) Am. Mineral. , vol.84 , pp. 1061-1070
    • Eggleston, C.M.1
  • 8
    • 4344583378 scopus 로고
    • A polarizable, dissociating molecular dynamics model for liquid water
    • Halley J.W., Rustad J.R., and Rahman A. A polarizable, dissociating molecular dynamics model for liquid water. J. Chem. Phys. 98 (1993) 4110-4119
    • (1993) J. Chem. Phys. , vol.98 , pp. 4110-4119
    • Halley, J.W.1    Rustad, J.R.2    Rahman, A.3
  • 9
    • 0036683078 scopus 로고    scopus 로고
    • 3(0 1 2) surface using EELS, LEED and water TPD
    • 3(0 1 2) surface using EELS, LEED and water TPD. Surf. Sci. 515 1 (2002) 253-262
    • (2002) Surf. Sci. , vol.515 , Issue.1 , pp. 253-262
    • Henderson, M.A.1
  • 13
    • 0041709347 scopus 로고    scopus 로고
    • Kinetics and mechanisms for reactions of Fe(II) with iron(III) oxides
    • Jeon B.-H., Dempsey B.A., and Burgos W.D. Kinetics and mechanisms for reactions of Fe(II) with iron(III) oxides. Environ. Sci. Technol. 37 (2003) 3309-3315
    • (2003) Environ. Sci. Technol. , vol.37 , pp. 3309-3315
    • Jeon, B.-H.1    Dempsey, B.A.2    Burgos, W.D.3
  • 16
    • 0033384616 scopus 로고    scopus 로고
    • Surface catalysis of uranium(VI) reduction by iron(II)
    • Liger E., Charlet L., and Van Cappellen P. Surface catalysis of uranium(VI) reduction by iron(II). Geochim. Cosmochim. Acta 63 19-20 (1999) 2939-2955
    • (1999) Geochim. Cosmochim. Acta , vol.63 , Issue.19-20 , pp. 2939-2955
    • Liger, E.1    Charlet, L.2    Van Cappellen, P.3
  • 17
    • 0033827440 scopus 로고    scopus 로고
    • Direct and Fe(II)-mediated reduction of technetium by Fe(III)-reducing bacteria
    • Lloyd J.R., Sole V.A., Van Praagh C.V.G., and Lovley D.R. Direct and Fe(II)-mediated reduction of technetium by Fe(III)-reducing bacteria. Appl. Environ. Microbiol. 66 9 (2000) 3743-3749
    • (2000) Appl. Environ. Microbiol. , vol.66 , Issue.9 , pp. 3743-3749
    • Lloyd, J.R.1    Sole, V.A.2    Van Praagh, C.V.G.3    Lovley, D.R.4
  • 18
  • 19
    • 13244252311 scopus 로고    scopus 로고
    • A test of geochemical reactivity as a function of mineral size: manganese oxidation promoted by hematite nanoparticles
    • Madden A.S., and Hochella M.F. A test of geochemical reactivity as a function of mineral size: manganese oxidation promoted by hematite nanoparticles. Geochim. Cosmochim. Acta 69 (2005) 389-398
    • (2005) Geochim. Cosmochim. Acta , vol.69 , pp. 389-398
    • Madden, A.S.1    Hochella, M.F.2
  • 20
    • 2742590069 scopus 로고    scopus 로고
    • Atomistic simulation of oxide surfaces and their reactivity with water
    • Parker S.C., deLeeuw N.H., and Redfern S.E. Atomistic simulation of oxide surfaces and their reactivity with water. Faraday Discuss. 114 (1999) 381-393
    • (1999) Faraday Discuss. , vol.114 , pp. 381-393
    • Parker, S.C.1    deLeeuw, N.H.2    Redfern, S.E.3
  • 21
    • 23844495434 scopus 로고    scopus 로고
    • Fast transformation of iron oxyhydroxides by catalytic action of aqueous Fe(II)
    • Pedersen H.D., Potsma D., Jakobsen R., and Larsen O. Fast transformation of iron oxyhydroxides by catalytic action of aqueous Fe(II). Geochim. Cosmochim. Acta 69 (2005) 3967-3977
    • (2005) Geochim. Cosmochim. Acta , vol.69 , pp. 3967-3977
    • Pedersen, H.D.1    Potsma, D.2    Jakobsen, R.3    Larsen, O.4
  • 22
    • 33845514888 scopus 로고    scopus 로고
    • Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces
    • Rustad J.R. Molecular models of surface relaxation, hydroxylation, and surface charging at oxide-water interfaces. Rev. Mineral. Gechem. 42 (2001) 169-197
    • (2001) Rev. Mineral. Gechem. , vol.42 , pp. 169-197
    • Rustad, J.R.1
  • 23
    • 36448999671 scopus 로고
    • Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution
    • Rustad J.R., Hay B.P., and Halley J.W. Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution. J. Chem. Phys. 102 (1995) 427-431
    • (1995) J. Chem. Phys. , vol.102 , pp. 427-431
    • Rustad, J.R.1    Hay, B.P.2    Halley, J.W.3
  • 24
    • 0345534639 scopus 로고    scopus 로고
    • Molecular modeling of the surface charging of hematite-II. Optimal proton distribution and simulation of surface charge versus pH relationships
    • Rustad J.R., Wasserman E., and Felmy A.R. Molecular modeling of the surface charging of hematite-II. Optimal proton distribution and simulation of surface charge versus pH relationships. Surf. Sci. 424 1 (1999) 28-35
    • (1999) Surf. Sci. , vol.424 , Issue.1 , pp. 28-35
    • Rustad, J.R.1    Wasserman, E.2    Felmy, A.R.3
  • 25
    • 0037371059 scopus 로고    scopus 로고
    • Molecular simulation of the magnetite-water interface
    • Rustad J.R., Felmy A.R., and Bylaska E.J. Molecular simulation of the magnetite-water interface. Geochim. Cosmochim. Acta 67 5 (2003) 1001-1016
    • (2003) Geochim. Cosmochim. Acta , vol.67 , Issue.5 , pp. 1001-1016
    • Rustad, J.R.1    Felmy, A.R.2    Bylaska, E.J.3
  • 26
    • 2342450565 scopus 로고    scopus 로고
    • Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force
    • Rustad J.R., Rosso K.M., and Felmy A.R. Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force. J. Chem. Phys. 120 16 (2004) 7607-7615
    • (2004) J. Chem. Phys. , vol.120 , Issue.16 , pp. 7607-7615
    • Rustad, J.R.1    Rosso, K.M.2    Felmy, A.R.3
  • 30
    • 0344240983 scopus 로고    scopus 로고
    • Molecular modeling of the surface charging of hematite-I. The calculation of proton affinities and acidities on a surface
    • Wasserman E., Rustad J.R., and Felmy A.R. Molecular modeling of the surface charging of hematite-I. The calculation of proton affinities and acidities on a surface. Surf. Sci. 424 1 (1999) 19-27
    • (1999) Surf. Sci. , vol.424 , Issue.1 , pp. 19-27
    • Wasserman, E.1    Rustad, J.R.2    Felmy, A.R.3
  • 31
    • 0002075164 scopus 로고
    • Crystal chemistry of oxides and oxyhydroxides
    • Waychunas G.A. Crystal chemistry of oxides and oxyhydroxides. Rev. Mineral. 25 (1991) 509
    • (1991) Rev. Mineral. , vol.25 , pp. 509
    • Waychunas, G.A.1
  • 32
    • 0001267502 scopus 로고
    • Wigner glass on the magnetite (0 0 1) surface observed by scanning-tunneling microscopy with a ferromagnetic tip
    • Wiesendanger R., Shvets I.V., and Coey J.M.D. Wigner glass on the magnetite (0 0 1) surface observed by scanning-tunneling microscopy with a ferromagnetic tip. J. Vac. Sci. Technol. B 12 (1994) 2118-2121
    • (1994) J. Vac. Sci. Technol. B , vol.12 , pp. 2118-2121
    • Wiesendanger, R.1    Shvets, I.V.2    Coey, J.M.D.3
  • 33
    • 4544255728 scopus 로고    scopus 로고
    • Spectroscopic evidence for Fe(II)-Fe(III) electron transfer at the iron oxide-water interface
    • Williams A.G.B., and Scherer M.M. Spectroscopic evidence for Fe(II)-Fe(III) electron transfer at the iron oxide-water interface. Environ. Sci. Technol. 38 (2004) 4782-4790
    • (2004) Environ. Sci. Technol. , vol.38 , pp. 4782-4790
    • Williams, A.G.B.1    Scherer, M.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.