Weak interfacial water ordering on isostructural hematite and corundum (001) surfaces

Geochimica et Cosmochimica Acta

Volumn 75, Issue 8, 2011, Pages 2062-2071

  Catalano, Jeffrey G ^a  

^a WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; AMPLITUDE; ANNEALING; CORUNDUM; FUNCTIONAL GROUP; HEMATITE; OXIDE; PH; PHOSPHATE; SILICATE;

EID: 79952736012     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2011.01.025     Document Type: Article

References (76)

1. 2 functional groups on a nanometer-sized aqueous cluster and bulk solution. Inorg. Chem. 2007, 46:7087-7092.
2. Berner R.A. Phosphate removal from sea water by adsorption on volcanogenic ferric oxides. Earth Planet. Sci. Lett. 1973, 18:77-86.
3. Blake R.L., Hessevic R.E., Finger L.W. Refinement of the hematite structure. Am. Mineral. 1966, 51:123-129.
4. Bolt G.H. Determination of the charge density of silica sols. J. Phys. Chem. 1957, 61:1166-1169.
5. Bourg I.C., Sposito G., Bourg A.C.M. Modeling the acid-base surface chemistry of montmorillonite. J. Colloid Interface Sci. 2007, 312:297-310.
6. 3 (0001). J. Phys. Chem. C 2008, 112:1751-1754.
7. Brown G.E., Parks G.A. Sorption of trace elements on mineral surfaces: modern perspectives from spectroscopic studies, and comments on sorption in the marine environment. Int. Geol. Rev. 2001, 43:963-1073.
8. Brown G.E., Henrich V.E., Casey W.H., Clark D.L., Eggleston C., Felmy A., Goodman D.W., Gratzel M., Maciel G., McCarthy M.I., Nealson K.H., Sverjensky D.A., Toney M.F., Zachara J.M. Metal oxide surfaces and their interactions with aqueous solutions and microbial organisms. Chem. Rev. 1999, 99:77-174.
9. 7+(aq) molecule and aqueous solution. Geochim. Cosmochim. Acta 2001, 65:705-714.
10. 7+(aq) complex and water: implications for mineral surface chemistry. Geochim. Cosmochim. Acta 2000, 64:2951-2964.
11. Catalano J.G. Relaxations and interfacial water ordering at the corundum (110) surface. J. Phys. Chem. C 2010, 114:6624-6630.
12. 3 (012) - aqueous solution interface. Langmuir 2006, 22:4668-4673.
13. Catalano J.G., Fenter P., Park C. Interfacial water structure on the (012) surface of hematite: ordering and reactivity in comparison with corundum. Geochim. Cosmochim. Acta 2007, 71:5313-5324.
14. Catalano J.G., Park C., Fenter P., Zhang Z. Simultaneous inner- and outer-sphere arsenate adsorption on corundum and hematite. Geochim. Cosmochim. Acta 2008, 72:1986-2004.
15. Catalano J.G., Fenter P., Park C. Water ordering and surface relaxations at the hematite (110)-water interface. Geochim. Cosmochim. Acta 2009, 73:2242-2251.
16. IIOH° species, as major reductant. Chem. Geol. 1998, 151:85-93.
17. Cheng L., Fenter P., Nagy K.L., Schlegel M.L., Sturchio N.C. Molecular-scale density oscillations in water adjacent to a mica surface. Phys. Rev. Lett. 2001, 87:156103.
18. Chiari G., Ferraris G. The water molecule in crystalline hydrates studied by neutron-diffraction. Acta Crystallogr. B 1982, 38:2331-2341.
19. Cornell R.M., Schwertmann U. The Iron Oxides: Structure, Properties, Reactions, Occurrences, and Uses 2003, Wiley, VCH.
20. Curtis G.P., Davis J.A., Naftz D.L. Simulation of reactive transport of uranium(VI) in groundwater with variable chemical conditions. Water Resour. Res. 2006, 42:W04404.
21. Davis J.A., James R.O., Leckie J.O. Surface ionization and complexation at the oxide/water interface. I. Computation of electrical double layer properties in simple electrolytes. J. Colloid Interface Sci. 1978, 63:480-499.
22. Eggleston C., Jordan G. A new approach to pH of point of zero charge measurement: crystal-face specificity by scanning force microscopy (SFM). Geochim. Cosmochim. Acta 1998, 62:1919-1923.
23. 3 (0001) surface. Science 2000, 288:1029-1033.
24. Fenter P. X-ray reflectivity as a probe of mineral-fluid interfaces: a user guide. Rev. Mineral. Geochem. 2002, 49:149-220.
25. Fenter P., Sturchio N.C. Mineral-water interfacial structures revealed by synchrotron X-ray scattering. Prog. Surf. Sci. 2004, 77:171-258.
26. Fenter P., Cheng L., Park C., Zhang Z., Sturchio N.C. Structure of the orthoclase (001)- and (010)-water interfaces by high-resolution X-ray reflectivity. Geochim. Cosmochim. Acta 2003, 67:4267-4275.
27. Fenter P., Catalano J.G., Park C., Zhang Z. On the use of CCD area detectors for high-resolution specular X-ray reflectivity. J. Synchrot. Radiat. 2006, 13:293-303.
28. 3 to 50kbar. J. Appl. Phys. 1980, 51:5362-5367.
29. 3 single-crystal interfaces as probed by optical second-harmonic generation. J. Phys. Chem. B 2005, 109:7981-7986.
30. Flörsheimer M., Kruse K., Polly R., Abdelmonem A., Schimmelpfennig B., Klenze R., Fanghänel T. Hydration of mineral surfaces probed at the molecular level. Langmuir 2008, 24:13434-13439.
31. Ghose S.K., Waychunas G.A., Trainor T.P., Eng P.J. Hydrated goethite (α-FeOOH) (100) interface structure: ordered water and surface functional groups. Geochim. Cosmochim. Acta 2010, 74:1943-1953.
32. Gibbs R.J. Mechanisms controlling world water chemistry. Science 1970, 170:1088-1090.
33. 3). J. Cryst. Growth 1989, 96:667-672.
34. Hass K.C., Schneider W.F., Curioni A., Andreoni W. The chemistry of water on alumina surfaces: reaction dynamics from first principles. Science 1998, 282:265-268.
35. 3 (0001). J. Phys. Chem. B 2000, 104:5527-5540.
36. Hayes K.F., Leckie J.O. Modeling ionic strength effects on cation adsorption at hydrous oxide/solution interfaces. J. Colloid Interface Sci. 1987, 115:564-572.
37. Hayes K.F., Papelis C., Leckie J.O. Modeling ionic strength effects on anion adsorption at hydrous oxide/solution interfaces. J. Colloid Interface Sci. 1988, 125:717-726.
38. Hiemstra T., van Riemsdijk W.H. Effect of different crystal faces on experimental interaction force and aggregation of hematite. Langmuir 1999, 15:8045-8051.
39. Hiemstra T., de Wit J.C.M., van Riemsdijk W.H. Multisite proton adsorption modeling at the solid/solution interface of (hydr)oxides: a new approach II. Application to various important (hydr)oxides. J. Colloid Interface Sci. 1989, 133:105-117.
40. Hiemstra T., Venema P., van Riemsdijk W.H. Intrinsic proton affinity of reactive surface groups of metal (hydr)oxides: the bond valence principle. J. Colloid Interface Sci. 1996, 184:680-692.
41. Hiemstra T., Yong H., van Riemsdijk W.H. Interfacial charging phenomena of aluminum (hydr)oxides. Langmuir 1999, 15:5942-5955.
42. Hura G., Sorenson J.M., Glaeser R.M., Head-Gordon T. A high-quality X-ray scattering experiment on liquid water at ambient conditions. J. Chem. Phys. 2000, 113:9140-9148.
43. Kerisit S. Water structure at hematite-water interfaces. Geochim. Cosmochim. Acta 2011, 75:2043-2061.
44. Kerisit S., Rosso K.M., Dupuis M., Valiev M. Molecular computational investigation of electron-transfer kinetics across cytochrome-iron oxide interfaces. J. Phys. Chem. C 2007, 111:11363-11375.
45. 2O. Acta Crystallogr. A 1990, 46:271-284.
46. 8+(aq) molecule and aqueous solutions. Geochim. Cosmochim. Acta 2002, 66:577-587.
47. Lin J.P., Balabin I.A., Beratan D.N. The nature of aqueous tunneling pathways between electron-transfer proteins. Science 2005, 310:1311-1313.
48. Lützenkirchen J., Zimmermann R., Preocanin T., Filby A., Kupcik T., Küttner D., Abdelmonem A., Schild D., Rabung T., Plaschke M., Brandenstein F., Werner C., Geckeis H. An attempt to explain bimodal behaviour of the sapphire c-plane electrolyte interface. Adv. Colloid Interface Sci. 2010, 157:61-74.
49. Lyklema J. Specificity in the statics and dynamics of surface-confined ions. Mol. Phys. 2002, 100:3177-3185.
50. Machesky M.L., Predota M., Wesolowski D.J., Vlcek L., Cummings P.T., Rosenqvist J., Ridley M.K., Kubicki J.D., Bandura A.V., Kumar N., Sofo J.O. Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework. Langmuir 2008, 24:12331-12339.
51. 3: the importance of surface relaxation. J. Cryst. Growth 1987, 80:441-446.
52. Magnussen O.M., Ocko B.M., Regan M.J., Penanen K., Pershan P.S., Deutsch M. X-ray reflectivity measurements of surface layering in liquid mercury. Phys. Rev. Lett. 1995, 74:4444.
53. Mason S.E., Iceman C.R., Tanwar K.S., Trainor T.P., Chaka A.M. Pb(II) adsorption on isostructural hydrated alumina and hematite (0001) surfaces: a DFT study. J. Phys. Chem. C 2009, 113:2159-2170.
54. Park C.Y., Fenter P., Zhang Z., Cheng L.W., Sturchio N.C. Structure of the fluorapatite (100)-water interface by high-resolution X-ray reflectivity. Am. Mineral. 2004, 89:1647-1654.
55. 30) molecule and aqueous solution. Geochim. Cosmochim. Acta 2003, 67:2725-2733.
56. Robinson I.K. Crystal truncation rods and surface roughness. Phys. Rev. B 1986, 33:3830-3836.
57. 3) at equilibrium. Geochim. Cosmochim. Acta 2004, 68:3547-3555.
58. Sahai N., Sverjensky D.A. Evaluation of internally consistent parameters for the triple-layer model by the systematic analysis of oxide surface titration data. Geochim. Cosmochim. Acta 1997, 61:2801-2826.
59. Schlegel M.L., Nagy K.L., Fenter P., Sturchio N.C. Structures of quartz (100)- and (101)-water interfaces determined by X-ray reflectivity and atomic force microscopy of natural growth surfaces. Geochim. Cosmochim. Acta 2002, 66:3037-3054.
60. Sorenson J.M., Hura G., Glaeser R.M., Head-Gordon T. What can X-ray scattering tell us about the radial distribution functions of water?. J. Chem. Phys. 2000, 113:9149-9161.
61. Stumm W., Sulzberger B. The cycling of iron in natural environments: considerations based on laboratory studies of heterogeneous redox processes. Geochim. Cosmochim. Acta 1992, 56:3233-3257.
62. Sverjensky D.A. Interpretation and prediction of triple-layer model capacitances and the structure of the oxide-electrolyte-water interface. Geochim. Cosmochim. Acta 2001, 65:3643-3655.
63. Sverjensky D.A., Sahai N. Theoretical prediction of single-site surface-protonation equilibrium constants for oxides and silicates in water. Geochim. Cosmochim. Acta 1996, 60:3773-3797.
64. 3 (102) surface structure: role of surface preparation. Surf. Sci. 2007, 601:L59-L64.
65. Tanwar K.S., Lo C.S., Eng P.J., Catalano J.G., Walko D.A., Brown G.E., Waychunas G.A., Chaka A.M., Trainor T.P. Surface diffraction study of the hydrated hematite (11̄02) surface. Surf. Sci. 2007, 601:460-474.
66. Tanwar K.S., Petitto S.C., Ghose S.K., Eng P.J., Trainor T.P. Fe(II) adsorption on hematite (0001). Geochim. Cosmochim. Acta 2009, 73:4346-4365.
67. Toney M.F., Howard J.N., Richer J., Borges G.L., Gordon J.G., Melroy O.R., Wiesler D.G., Yee D., Sorensen L.B. Voltage-dependent ordering of water molecules at an electrode-electrolyte interface. Nature 1994, 368:444-446.
68. 3 (11̄02) surface. Surf. Sci. 2002, 496:238-250.
69. Trainor T.P., Chaka A.M., Eng P.J., Newville M., Waychunas G.A., Catalano J.G., Brown G.E. Structure and reactivity of the hydrated hematite (0001) surface. Surf. Sci. 2004, 573:204-224.
70. Walko D.A., Sakata O., Lyman P.F., Lee T.L., Tinkham B.P., Okasinski J.S., Zhang Z., Bedzyk M.J. Surface and interface studies at APS endstation 5ID-C. AIP Conf. Proc. 2004, 705:1166-1169.
71. Wheat C.G., Feely R.A., Mottl M.J. Phosphate removal by oceanic hydrothermal processes: an update of the phosphorus budget in the oceans. Geochim. Cosmochim. Acta 1996, 60:3593-3608.
72. 3) interfaces. J. Phys. Chem. C 2009, 113:2096-2103.
73. Wu L.M., Forsling W., Schindler P.W. Surface complexation of calcium minerals in aqueous solution 1. Surface protonation at fluorapatite-water interfaces. J. Colloid Interface Sci. 1991, 147:178-185.
74. + at pH 12: inter-relationship among surface charge, interfacial hydration structure, and substrate structural displacements. Surf. Sci. 2007, 601:1129-1143.
75. Zhang L., Tian C., Waychunas G.A., Shen Y.R. Structures and charging of α-alumina (0001)/water interfaces studied by sum-frequency vibrational spectroscopy. J. Am. Chem. Soc. 2008, 130:7686-7694.
76. Zschack P., Ice G., Tischler J.Z., Hong H., Robinson D., Jemian P., Larson B.C., Chen H., Long G., Broach R.W. Design and performance of the UNICAT insertion device beamline at the APS. Synch. Radiat. Instrum. 2000, 423-426.