1 |
Sakai, N., Ebina, Y., Takada, K., and Sasaki, T. (2005) Photocurrent generation from semiconducting manganese oxide nanosheets in response to visible light. J. Phys. Chem. B, 109, 9651-9655.
DOI
ScienceOn
|
2 |
Sherman, D.M. (2005) Electronic structures of iron(III) and manganese(IV) (hydr)oxide minerals: Thermodynamics of photochemical reductive dissolution in aquatic environments. Geochim. Cosmochim. Acta, 69, 3249-3255.
DOI
ScienceOn
|
3 |
Villalobos, M., Bargar, J., and Sposito, G. (2005) Mechanisms of Pb(II) sorption on a biogenic manganese oxide. Env. Sci. Technol., 39, 569-576.
DOI
ScienceOn
|
4 |
Bargar, J.R., Fuller, C.C., Marcus, M.A., Brearley, A.J., Perez De la Rosa, M., Webb, S.M., and Caldwell, W.A. (2009) Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ. Geochim. Cosmochim. Acta, 73, 889-910.
DOI
ScienceOn
|
5 |
Takahashi, Y., Manceau, A., Geoffroy, N., Marcus, M.A., and Usui, A. (2007) Chemical and structural control of the partitioning of Co, Ce, and Pb in marine ferromanganese oxides. Geochim. Cosmochim. Acta, 71, 984-1008.
DOI
ScienceOn
|
6 |
Kwon, K.D. and Kubicki, J.D. (2004) Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: Calculation of vibrational frequencies and adsorption energies. Langmuir, 20, 9249-9254.
DOI
ScienceOn
|
7 |
Kwon, K.D., Refson, K., and Sposito, G. (2009b) On the role of Mn(IV) vacancies in the photoreductive dissolution of hexagonal birnessite. Geochim. Cosmochim. Acta, 73, 4142-4150.
DOI
ScienceOn
|
8 |
Mason, S.E., Iceman, C.R., Tanwar, K.S., Trainor, T.P., and Chaka, A.M. (2009) Pb(II) Adsorption on isostructural hydrated alumina and hematite (0001) surfaces: A DFT study. J. Phys. Chem. C, 113, 2159- 2170.
DOI
ScienceOn
|
9 |
Sposito G. (2008) The Chemistry of Soils. Oxford University Press, New York, 329p.
|
10 |
Sunda, W.G., Huntsman, S.A., and Harvey, G.R. (1983) Photoreduction of manganese oxides in seawater and its geochemical and biological implications. Nature, 301, 234-236.
DOI
|
11 |
Cramer, C.J. (2003) Essentials of Computational Chemistry. John Wiley & Sons Ltd, Chichester, 542p.
|
12 |
Hattori, T., Saito, T., Ishida, K., Scheinost, A.C., Tsuneda, T., Nagasaki, S., and Tanaka, S. (2009) The structure of monomeric and dimeric uranyl adsorption complexes on gibbsite: A combined DFT and EXAFS study. Geochim. Cosmochim. Acta, 73, 5975-5988.
DOI
ScienceOn
|
13 |
Hochella, M.F., Moore, J.N., Putnis, C.V., Putnis, A., Kasama, T., and Eberl, D.D. (2005) Direct observation of heavy metal-mineral association from the Clark Fork River Superfund Complex: Implications for metal transport and bioavailability. Geochim. Cosmochim. Acta, 69, 1651-1663.
DOI
ScienceOn
|
14 |
Tani, Y., Miyata, N., Ohashi, M., Ohnuki, T., Seyama, H., Iwahori, K., and Soma, M. (2004) Interaction of inorganic arsenic with biogenic manganese oxide produced by a Mn‐oxidizing fungus, strain KR21‐2. Env. Sci. Technol., 38, 6618-6624.
DOI
ScienceOn
|
15 |
Spiro, T.G., Bargar, J.R., Sposito, G., and Tebo, B.M. (2010) Bacteriogenic manganese oxides. Acc. Chem. Res., 43, 2-9.
DOI
ScienceOn
|
16 |
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G. E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Jr., Peralta, J.E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V.N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J. C., Iyengar, S.S., Tomasi, J., Cossi, M., Rega, N., Millam, J.M., Klene, M., Knox, J.E., Cross, J.B.,Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., and Fox, D. J. (2009) Gaussian 09 (Revision A.2). Gaussian, Inc. Wallingford CT.
|
17 |
Sposito G. (2004) The Surface Chemistry of Natural Particles. Oxford University Press, New York, 242p.
|
18 |
Saratovsky, I., Wightman, P.G., Pastén, P.A., Gaillard, J.F., and Poeppelmeier, K.R. (2006) Manganese oxides: Parallels between abiotic and biotic structures. J. Am. Chem. Soc., 128, 11188-11198.
DOI
ScienceOn
|
19 |
Forrez, I., Carballa, M., Verbeken, K., Vanhaecke, L., sener, M.S., Ternes, T., Boon, N., and Verstraete, W. (2010) Diclofenac oxidation by biogenic manganese oxides. Environ. Sci. Technol., 44, 3449-3454.
DOI
ScienceOn
|
20 |
Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., and Payne, M.C. (2002) Firstprinciples simulation: ideas, illustrations and the CASTEP code. J. Phys. Condens. Matter., 14, 2717-2744.
DOI
ScienceOn
|
21 |
Perdew, J.P., Burke, K., and Ernzerhof, M. (1996) Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865-3868.
DOI
ScienceOn
|
22 |
Post, J.E. and Appleman, D.E. (1988) Chalcophanite, . - New crystal-structure determinations. Am. Mineral., 73, 1401-1404.
|
23 |
Russo, F., Johnson, C.J., Johnson, C.J., McKenzie, D., Aiken, J.M., and Pedersen, J.A. (2009) Pathogenic prion protein is degraded by a manganese oxide mineral found in soils. J. Gen. Virol., 90, 275-280.
DOI
ScienceOn
|
24 |
Pinaud, B.A. and Jaramillo, T.F. (2010) Manganese oxide thin film for photoelectrochemical hydrogen production. The Electrochemical Society meeting abstract, 1001, 1348.
|
25 |
Duckworth, O.W., Bargar, J.R., and Sposito, G. (2008) Sorption of ferric iron from ferrioxamine B to synthetic and biogenic layer type manganese oxides. Geochim. Cosmochim. Acta, 72, 3371-3380.
DOI
ScienceOn
|
26 |
Post, J.E. (1999) Manganese oxide minerals: Crystal structures and economic and environmental significance. Proc. Natl. Acad. Sci. U.S.A., 96, 3447-3454.
DOI
ScienceOn
|
27 |
Armstrong, A.R. and Bruce, P.G. (1996) Synthesis of layered LiMnO2 as an electrode for rechargeable lithium batteries. Nature, 381, 499-500.
DOI
ScienceOn
|
28 |
Perdow, J.P. and Ruzsinszky, A. (2010) Density functional theory of electronic structure: a short course for mineralogists and geophysicists. In: Wentzcovitch, R. and Stixrude, L. Editors, Theoretical and Computational Methods in Mineral Physics vol. 71, Mineralogical Society of America, Chantilly, VA. pp. 1-18.
|
29 |
Clark, S.J., Segall, M.D., Pickard, C.J., Hasnip, P.J., Probert, M.J., Refson, K., and Payne, M.C. (2005) First principles methods using CASTEP. Z. Kristallogr., 220, 567-570.
DOI
ScienceOn
|
30 |
Pena, J., Kwon, K.D., Refson, K., Bargar, J.R., and Sposito, G. (2010) Mechanisms of nickel sorption by a bacteriogenic birnessite. Geochim. Cosmochim. Acta, 74, 3076-3089.
DOI
ScienceOn
|
31 |
Morgan, J.J. (2005) Kinetics of reaction between and Mn(II) species in aqueous solutions. Geochim. Cosmochim. Acta, 69, 35-48.
DOI
ScienceOn
|
32 |
김수진 (1990) 7 A 층상구조형 산화망간광물의 결정화학, 광물학회지, 3, 34-43.
|
33 |
최헌수, 장세원, 이성록 (2000) 망간단괴 미세조직에 따른 광물조성과 화학조성의 상관관계, 광물학회지, 13, 205-220.
|
34 |
Peacock, C.L. (2009) Physiochemical controls on the crystal-chemistry of Ni in birnessite: Genetic implications for ferromanganese precipitates. Geochim. Cosmochim. Acta, 73, 3568-3578.
DOI
ScienceOn
|
35 |
Peacock, C.L., and Sherman, D.M. (2007) Sorption of Ni by birnessite: Equilibrium controls on Ni in seawater.Chem. Geol., 238, 94-106.
DOI
ScienceOn
|
36 |
Pena, J. (2009) Contaminant metal immobilization by biogenic manganese oxide nanoparticles: implications for natural attenuation and bioremediation. Ph. D. Thesis, University of California, Berkeley, California, USA.
|
37 |
Mattsson, A.E., Schultz, P.A., Desjarlais, M.P., Mattsson, T.R., and Leung, K. (2005) Designing meaningful density functional theory calculations in materials science-a primer. Model. Simul. Mater. Sci. Eng., 13, R1-R31.
DOI
ScienceOn
|
38 |
Morgan, J.J. (2000) Manganese in natural waters and earth's crust: its availability to organisms. In: Sigel, A. and Sigel, H. (eds.), Metal Ions in Biological Systems, Vol. 37, Marcel Dekker, Inc., New York, 1-34.
|
39 |
Ogata, A., Komaba, S., Baddour-Hadjean, R., Pereira-Ramos, J.P., and Kumagai, N. (2008) Doping effects on structure and electrode performance of K-birnessitetype manganese dioxides for rechargeable lithium battery. Electrochim. Acta, 53, 3084-3093.
DOI
ScienceOn
|
40 |
Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., and Joannopoulos, J.D. (1992) Iterative minimization techniques for ab initio total-energy calculations: moleculardynamics and conjugate gradients. Rev. Mod. Phys., 64, 1045-1097.
DOI
|
41 |
Villalobos, M., Lanson, B., Manceau, A., Toner, B., and Sposito, G. (2006) Structural model for the biogenic Mn oxide produced by Pseudomonas putida. Am. Mineral., 91, 489-502.
DOI
ScienceOn
|
42 |
Manceau, A., Lanson, B., and Drits, V.A. (2002) Structure of heavy metal sorbed birnessite. Part III: Results from powder and polarized extended X-ray absorption fine structure spectroscopy. Geochim. Cosmochim. Acta, 66, 2639-2663.
DOI
ScienceOn
|
43 |
Manceau, A., Lanson, M., and Geoffroy, N. (2007) Natural speciation of Ni, Zn, Ba, and As in ferromanganese coatings on quartz using X-ray fluorescence, absorption, and diffraction. Geochim. Cosmochim. Acta, 71, 95-128.
DOI
ScienceOn
|
44 |
Martin, R.M. (2004) Electronic Structure: Basic Theory and Practical Methods. Cambridge University Press, Cambridge, 624 p.
|
45 |
Lanson, B., Marcus, M.A., Fakra, S., Panfili, F., Geoffroy, N., and Manceau, A. (2008) Formation of Zn-Ca phyllomanganate nanoparticles in grass roots. Geochim. Cosmochim. Acta, 72, 2478-2490.
DOI
ScienceOn
|
46 |
Li, W., Feng, J., Kwon, K.D., Kubicki, J.D., and Phillips, B.L. (2010) Surface speciation of phosphate on boehmite (‐AlOOH) determined from NMR spectroscopy. Langmuir, 26, 4753-4761.
DOI
ScienceOn
|
47 |
Kwon, K.D., Refson, K., and Sposito, G. (2009a) Zinc surface complexes on birnessite: A density functional theory study. Geochim. Cosmochim. Acta, 73, 1273-1284.
DOI
ScienceOn
|
48 |
Waite, T.D., Wrigley, I.C., and Szymczak, R. (1988) Photoassisted dissolution of a colloidal manganese oxide in the presence of fulvic-acid. Env. Sci. Technol., 22, 778-785.
DOI
ScienceOn
|
49 |
Webb, S.M., Tebo, B.M., and Bargat, J.R. (2005) Structural characterization of biogenic Mn oxides produced in seawater by the marine bacillus sp strain SG-1. Am. Mineral., 90, 1342-1357.
DOI
ScienceOn
|
50 |
Kwon, K.D., Green, H., Bjoorn, P., and Kubicki, J.D. (2006) Model bacterial extracellular polysaccharide adsorption onto silica and alumina: Quartz crystal microbalance with dissipation monitoring of dextran adsorption. Environ. Sci. Technol., 40, 7739-7744.
DOI
ScienceOn
|
51 |
Villalobos, M., Toner, B., Bargar, J., and Sposito, G. (2003) Characterization of the manganese oxide produced by Pseudomonas putida strain MnB1. Geochim. Cosmochim. Acta, 67, 2649-2662.
DOI
ScienceOn
|
52 |
Toner, B., Manceau, A., Webb, S.M., and Sposito, G. (2006) Zinc sorption to biogenic hexagonal‐birnessite particles within a hydrated bacterial biofilm. Geochim. Cosmochim. Acta, 70, 27-43.
|
53 |
Kwon, K.D., Refson, K., and Sposito, G. (2008) Defect‐ induced photoconductivity in layered manganese oxides: A density functional theory study. Phys. Rev. Lett., 100, 146601.
DOI
ScienceOn
|
54 |
Kohn, W. and Sham, L.J. (1965) Self-consistent equations including exchange and correlation effects. Phys. Rev., 140, A1133-A1138.
DOI
|
55 |
Kresse, G. and Furthmuller, J. (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane‐wave basis set. Phys. Rev. B, 54, 11169-11186.
DOI
ScienceOn
|
56 |
Tebo, B.M., Bargar, J.R., Clement, B.G., Dick, G.J., Murray, K.J., Parker, D., Verity, R., and Webb, S.M. (2004) Biogenic manganese oxides: Properties and mechanisms of formation. Annu. Rev. Earth Planet. Sci., 32, 287-328.
DOI
ScienceOn
|
57 |
te Velde, G., Bickelhaupt, F.M., Baerends, E.J., Guerra, C.F., van Gisbergen, S.J.A., Snijders, J.G., and Ziegler, T. (2001) Chemistry with ADF. J. Comput. Chem., 22, 931-967.
DOI
ScienceOn
|
58 |
Kim, S.H., Kim, S.J., and Oh, S.M. (1999) Preparation of layered via thermal decomposition of and its electrochemical characterizations. Chem. Mater., 11, 557-563.
DOI
ScienceOn
|
59 |
Kang, K. and Cder, S. (2006) Factors that affect Li mobility in layered lithium transition metal oxides. Phys. Rev. B, 74, 094105.
DOI
ScienceOn
|