Characterization of leached layers on olivine and pyroxenes using high-resolution XPS and density functional calculations
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Banfield, 1990, The transmission electron microscopy of subsolidus oxidation and weathering of olivine, Contrib. Mineral. Petrol., 106, 110, 10.1007/BF00306412
Banfield, 1992, The defect microstructure of oxidized mantle olivine from Dish Hill, California, Am. Mineral., 77, 977
Blum, 1988, Role of surface speciation in the low-temperature dissolution of minerals, Nature, 331, 431, 10.1038/331431a0
Budd, 1961, The mechanisms of chemical reaction between silicate glass and attacking agents, Phys. Chem. Glass., 2, 111
Casey, 1993, The surface chemistry of manganiferous silicate minerals as inferred from experiment on tephroite (Mn2SiO4), Geochim. Cosmochim. Acta, 57, 785, 10.1016/0016-7037(93)90168-V
Chen, 2000, Dissolution of forsteritic olivine at 65degrees C and 2<pH<5, Chem. Geol., 165, 267, 10.1016/S0009-2541(99)00177-1
Ching, 1983, Comparative studies of electronic structures of sodium metasilicate and α and β phases of sodium silicate, Phys. Rev. B, 28, 4724, 10.1103/PhysRevB.28.4724
Ching, 1985, Electronic structures of lithium metasilicate and lithium disilicate, Phys. Rev. B, 32, 1203, 10.1103/PhysRevB.32.1203
Dawn, 2007, Vibrational dynamics in H+-substituted forsterite: A first principles molecular dynamics study, Am. Mineral, 92, 1593, 10.2138/am.2007.2433
Deer, 1969
Dixit, 2007, Effect of solution saturation state and temperature on diopside dissolution, Geochem. Trans., 8, 1
Duro, 2005, The dissolution of high-FeO olivine rock from the Lovasjarvi intrusion (SE-Finland) at 25 degrees C as a function of pH, Appl. Geochem., 20, 1284, 10.1016/j.apgeochem.2005.03.004
Duval, 2002, Evidence of the existence of three types of species at the quartz-aqueous solution interface at pH 0–10: surface group quantification and surface complexation modeling, J. Phys. Chem., B202, 2937, 10.1021/jp012818s
Eggleston, 1989, Sample preparation and aging effects on the dissolution rate and surface composition of diopside, Geochim. Cosmochim. Acta, 53, 797, 10.1016/0016-7037(89)90026-4
Gelius U. (1972) Molecular orbitals and line intensities in ESCA spectra. In Electron Spectroscopy (ed. D. A. Shirley). Amsterdam, North-Holland, pp. 311–334.
Giammar, 2005, Forsterite dissolution and magnesite precipitation at conditions relevant for deep saline aquifer storage and sequestration of carbon dioxide, Chem. Geol., 217, 257, 10.1016/j.chemgeo.2004.12.013
Grandstaff, 1977, Some kinetics of bronzite orthopyroxene dissolution, Geochim. Cosmochim. Acta, 41, 1097, 10.1016/0016-7037(77)90104-1
Hanchen, 2006, Dissolution kinetics of forsteritic olivine at 90-150degrees C including effects of the presence of CO2, Geochim. Cosmochim. Acta, 70, 4403, 10.1016/j.gca.2006.06.1560
Hellmann, 1990, The formation of leached layers on albite surfaces during dissolution under hydrothermal conditions, Geochim. Cosmochim. Acta, 54, 1267, 10.1016/0016-7037(90)90152-B
Hochella, 1988, A reassessment of electron escape depths in silicon and thermally grown silicon dioxide thin films, Surf. Sci., 197, L260, 10.1016/0039-6028(88)90625-5
Johnson, 1973, Scattered-wave theory of the chemical bond, Adv. Quant. Chem., 7, 143, 10.1016/S0065-3276(08)60561-4
Knauss, 1993, Diopside dissolution kinetics as a function of pH, CO2, temperature, and time, Geochim. Cosmochim. Acta, 57, 285, 10.1016/0016-7037(93)90431-U
Knipe, 1995, X-ray photoelectron spectroscopic study of water-adsorption on iron sulfide minerals, Geochim. Cosmochim. Acta, 59, 1079, 10.1016/0016-7037(95)00025-U
Lazarov, 2005, Structure of the hydrogen-stabilized MgO(111)-1X1 polar surface: integrated experimental and theoretical studies, Phys. Rev. B, 71, 1
Liu, 1998, Reaction of water with MgO (100) surfaces. Part 1: Synchrotron X-ray photoemission studies of low-defect surfaces, Surf. Sci., 412/413, 287, 10.1016/S0039-6028(98)00444-0
Liu, 2006, Mechanism for the dissolution of olivine series minerals in acidic solutions, Am. Mineral., 91, 455, 10.2138/am.2006.2077
Luce, 1972, Dissolution kinetics of magnesium silicates, Geochim. Cosmochim. Acta, 36, 35, 10.1016/0016-7037(72)90119-6
Nasu, 1988, XPS study of non-bridging oxygens in Na2O–SiO2 gels, J. Non-Cryst. Solids, 99, 140, 10.1016/0022-3093(88)90466-8
Nesbitt, 2007, High resolution O 1s XPS spectral, NMR, and thermodynamic evidence bearing on anionic silicate moieties (units) in PbO–SiO2 and Na2O–SiO2 glasses, Can. J. Chemistry, 85, 782, 10.1139/v07-085
Nesbitt, 1994, X-ray photoelectron spectroscopic study of a pristine pyrite surface reacted with water vapour and air, Geochim. Cosmochim. Acta, 58, 4667, 10.1016/0016-7037(94)90199-6
Nesbitt, 2004, Minimum XPS core-level line widths ODF insulators, including silicate minerals, Am. Mineral., 89, 878, 10.2138/am-2004-5-623
Oelkers, 2001, An experimental study of forsterite dissolution rates as a function of temperature and aqueous Mg and Si concentrations, Chem. Geol., 175, 485, 10.1016/S0009-2541(00)00352-1
Oelkers, 2001, General description of multi-oxide silicate mineral and glass dissolution, Geochim. Cosmochim. Acta, 65, 3703, 10.1016/S0016-7037(01)00710-4
Oelkers, 2001, An experimental study of enstatite dissolution rates as a function of pH, temperature, and aqueous Mg and Si concentration, and the mechanism of pyroxene/pyroxenoid dissolution, Geochim. Cosmochim. Acta, 65, 1219, 10.1016/S0016-7037(00)00564-0
Ordejon, 1996, Self-consistent order-N density-functional calculations for very large systems, Phys. Rev. B, 53, 10441, 10.1103/PhysRevB.53.R10441
Paparazzo, 1992, Evidence of Si–OH species at the surface of aged silica, J. Vacuum Sci. Technol.—Vacuum Surf. Films, 10, 2892, 10.1116/1.577726
Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Pokrovsky, 2000, Forsterite surface composition in aqueous solutions: a combined potentiometric, electrokinetic, and spectroscopic approach, Geochim. Cosmochim. Acta, 64, 3299, 10.1016/S0016-7037(00)00435-X
Pokrovsky, 2000, Kinetics and mechanism of forsterite dissolution at 25°C and pH from 1 to 12, Geochim. Cosmochim. Acta, 64, 3313, 10.1016/S0016-7037(00)00434-8
Rosso, 2000, A high resolution study of forsterite dissolution rates, Geochim. Cosmochim. Acta, 64, 97, 10.1016/S0016-7037(99)00354-3
Sanchez-Portal, 1997, Density-functional method for very large systems with LCAO basis sets, Int. J. Quant. Chem., 65, 453, 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V
Sankey, 1989, Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems, Phys. Rev. B, 40, 3979, 10.1103/PhysRevB.40.3979
Schaufuss, 1998, Reactivity of surface chemical states on fractured pyrite, Surf. Sci. Lett., 411, 321, 10.1016/S0039-6028(98)00355-0
Schott, 1983, X-ray Photoelectron studies of the mechanism of iron silicate dissolution during weathering, Geochim. Cosmochim. Acta, 47, 2233, 10.1016/0016-7037(83)90046-7
Schott, 1985, Dissolution Mechanisms of pyroxene and olivines during weathering, 35
Schott, 1981, Mechanism of pyroxene and amphibole weathering. I. Experimental studies of iron-free minerals, Geochim. Cosmochim. Acta, 45, 2123, 10.1016/0016-7037(81)90065-X
Seyama, 1996, Surface characterization of acid-leached olivines by X-ray photoelectron spectroscopy, Chem. Geol., 129, 209, 10.1016/0009-2541(95)00142-5
Shirley, 1972, High-resolution X-ray photoemission spectrum of valence bands of gold, Phys. Rev. B, 5, 4709, 10.1103/PhysRevB.5.4709
Smyth, 1973, The crystal structure of forsterite and hortonolite at several temperatures up to 900°C, Am. Mineral., 58, 588
Soler, 2002, The SIESTA method for ab initio order-N materials simulation, J. Phys.—Condensed Matter, 14, 2745, 10.1088/0953-8984/14/11/302
Troullier, 1991, Efficient pseudopotentials for plane-wave calculations, Phys. Rev. B, 43, 1993, 10.1103/PhysRevB.43.1993
Tsuchida, 1994, X-ray photoelectron study of hydrated aluminas and aluminas, J. Mater. Res., 9, 2919, 10.1557/JMR.1994.2919
Uchino, 1992, A new model of ionic transport for single-alkali and mixed-alkali oxide glasses based on abinitio molecular-orbital calculations, J. Non-Cryst. Solids, 146, 26, 10.1016/S0022-3093(05)80473-9
Wyckoff, 1981, vol. 3
Xiao, 1994, Ab initio quantum meachanical studies of the kinetics and mechanisms of silicate dissolution: H+ (H3O+) catalysis, Geochim. Cosmochim. Acta, 58, 5379, 10.1016/0016-7037(94)90237-2
Yeh, 1985, Atomic subshell photoionization cross sections and asymmetry parameter, Atom. Nucl. Data Tables, 32, 1, 10.1016/0092-640X(85)90016-6
Zakaznova-Herzog, 2005, High resolution valence band XPS spectra of the non-conductors quartz and olivine, Phys. Rev. B, 72, 1
Zakaznova-Herzog, 2006, High resolution core and valence band XPS spectra of non-conductor pyroxenes, Surf. Sci., 600, 3175, 10.1016/j.susc.2006.06.012