Joint Density-Functional Theory: Ab Initio Study of Cr<sub>2</sub>O<sub>3</sub> Surface Chemistry in Solution

Journal of Physical Chemistry B - Tập 109 Số 32 - Trang 15436-15444 - 2005
Sahak Petrosyan1, A. A. Rigos1, T. A. Arias1
1Department of Physics, Cornell University, Ithaca, New York 14853, and Department of Chemistry, Merrimack College, North Andover, Massachusetts 01845

Tóm tắt

Từ khóa


Tài liệu tham khảo

Radeke M. R., 1997, Annu. Rev. Phys. Chem., 48, 270, 10.1146/annurev.physchem.48.1.243

Greeley J., 2002, Annu. Rev. Phys. Chem., 53, 348, 10.1146/annurev.physchem.53.100301.131630

Gross A., 2002, Surf. Sci., 500, 67, 10.1016/S0039-6028(01)01526-6

DeGaspari J., 2003, Mech. Eng., 125, 30

Ryan M. P., 2002, Nature, 415, 774, 10.1038/415774a

Stampfl C., 2002, Surf. Sci., 500, 394, 10.1016/S0039-6028(01)01551-5

Erlebacher J., 2001, Nature, 410, 3, 10.1038/35068529

Jones D. A., 1996, Principles and Prevention of Corrosion

Latanision R., 1997, Japan, 868

Alavi S., 2003, J. Phys. Chem. B, 107, 195, 10.1021/jp021559j

Cline J. A., 2000, J. Phys. Chem. B, 104, 6201, 10.1021/jp9943474

Tannor D., 1994, J. Am. Chem. Soc., 116, 10.1021/ja00105a030

Fattebert J.-L., 2002, J. Comput. Chem., 23, 666

Curtin W., 1985, Phys. Rev. A, 32, 19, 10.1103/PhysRevA.32.2909

Sun S., 2001, Phys. Rev. E, 64, 1

Mermin N., 1965, Phys. Rev., 137, A1443, 10.1103/PhysRev.137.A1441

Capitani J., 1982, J. Chem. Phys., 76, 73, 10.1063/1.442703

Levy M., 1979, Proc. Natl. Acad. Sci. U. S. A., 76, 6065

Gilbert T., 1975, Phys. Rev. B, 12, 20, 10.1103/PhysRevB.12.2111

Payne M., 1992, Rev. Mod. Phys., 64, 97, 10.1103/RevModPhys.64.1045

Vaidehi N., 1992, J. Chem. Phys., 97, 71, 10.1063/1.463928

Kim K., 1996, Phys. Rev. Lett., 76, 9

Park I., 2001, Comput. Mater. Sci., 21, 300, 10.1016/S0927-0256(01)00152-5

Perdew J., 1992, Phys. Rev. B, 45, 9, 10.1103/PhysRevB.45.13244

Kleinman L., 1982, Phys. Rev. Lett., 48, 8, 10.1103/PhysRevLett.48.1425

Arias T., 1992, Phys. Rev. Lett., 69, 80, 10.1103/PhysRevLett.69.1077

Tomasi J., 1994, Chem. Rev., 94, 94, 10.1021/cr00031a013

Marten B., 1996, J. Phys. Chem., 100, 11788, 10.1021/jp953087x