-
1
-
-
28444449028
-
Structure and reactivity of environmental interfaces: Application of grazing angle X-ray spectroscopy and long-period X-ray standing waves
-
DOI 10.1016/j.elspec.2005.04.011, PII S0368204805004585
-
T. P. Trainor, A. S. Templeton, and P. J. Eng, J. Elec. Spectros. Rel. Phenom. JESRAW 0368-2048 10.1016/j.elspec.2005.04.011 150, 66 (2006). (Pubitemid 41737441)
-
(2006)
Journal of Electron Spectroscopy and Related Phenomena
, vol.150
, Issue.2-3
, pp. 66-85
-
-
Trainor, T.P.1
Templeton, A.S.2
Eng, P.J.3
-
2
-
-
84882525436
-
-
in edited by A. Nilsson, L. G. M. Pettersson, J. K. Nørskov (Elsevier, Amsterdam
-
G. E. Brown Jr., T. P. Trainor, and A. M. Chaka, in Chemical Bonding at Surfaces and Interfaces, edited by, A. Nilsson, L. G. M. Pettersson, J. K. Nørskov, (Elsevier, Amsterdam, 2008), pp. 457-509.
-
(2008)
Chemical Bonding at Surfaces and Interfaces
, pp. 457-509
-
-
Brown, Jr.G.E.1
Trainor, T.P.2
Chaka, A.M.3
-
3
-
-
10044224848
-
-
SUSCAS 0039-6028 10.1016/j.susc.2004.09.040
-
T. P. Trainor, A. M. Chaka, P. J. Eng, M. Newville, G. A. Waychunas, J. G. Catalano, and G. E. Brown Jr., Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2004.09.040 573, 204 (2004).
-
(2004)
Surf. Sci.
, vol.573
, pp. 204
-
-
Trainor, T.P.1
Chaka, A.M.2
Eng, P.J.3
Newville, M.4
Waychunas, G.A.5
Catalano, J.G.6
Brown, Jr.G.E.7
-
4
-
-
0034640360
-
3 (0001) surface
-
DOI 10.1126/science.288.5468.1029
-
P. J. Eng, T. P. Trainor, G. E. Brown Jr., G. A. Waychunas, M. Newville, S. R. Sutton, and M. L. Rivers, Science SCIEAS 0036-8075 10.1126/science.288. 5468.1029 288, 1029 (2000). (Pubitemid 30324231)
-
(2000)
Science
, vol.288
, Issue.5468
, pp. 1029-1033
-
-
Eng, P.J.1
Trainor, T.P.2
Brown Jr., G.E.3
Waychunas, G.A.4
Newville, M.5
Sutton, S.R.6
Rivers, M.L.7
-
5
-
-
22344441862
-
3 (1102) surfaces
-
DOI 10.1016/j.gca.2005.03.044, PII S0016703705003054
-
J. G. Catalano, T. P. Trainor, P. J. Eng, G. A. Waychunas, and G. E. Brown Jr., Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/j.gca.2005.03.044 69, 3555 (2005). (Pubitemid 41001663)
-
(2005)
Geochimica et Cosmochimica Acta
, vol.69
, Issue.14
, pp. 3555-3572
-
-
Catalano, J.G.1
Trainor, T.P.2
Eng, P.J.3
Waychunas, G.A.4
Brown Jr., G.E.5
-
6
-
-
0030485013
-
Outer-sphere Pb(II) adsorbed at specific surface sites on single crystal α-alumina
-
DOI 10.1016/0016-7037(96)00222-0, PII S0016703796002220
-
J. R. Barger, S. N. Towle, G. E. Brown Jr., and G. A. Parks, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/0016-7037(96)00222-0 60, 3541 (1996); (Pubitemid 126376882)
-
(1996)
Geochimica et Cosmochimica Acta
, vol.60
, Issue.18
, pp. 3541-3547
-
-
Bargar, J.R.1
Towle, S.N.2
Brown Jr., G.E.3
Parks, G.A.4
-
7
-
-
0031568209
-
3
-
DOI 10.1006/jcis.1996.4574
-
J. R. Barger, S. N. Towle, G. E. Brown Jr., and G. A. Parks, J. Colloid Interface Sci. JCISA5 0021-9797 10.1006/jcis.1996.4574 185, 473 (1997); (Pubitemid 27466799)
-
(1997)
Journal of Colloid and Interface Science
, vol.185
, Issue.2
, pp. 473-492
-
-
Bargar, J.R.1
Towle, S.N.2
Brown Jr., G.E.3
Parks, G.A.4
-
8
-
-
0035834002
-
Pb(II) distributions at biofilm-metal oxide interfaces
-
DOI 10.1073/pnas.201150998
-
A. S. Templeton, T. P. Trainor, S. J. Traina, A. M. Spormann, and G. E. Brown Jr., Proc. Natl. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.201150998 98, 11897 (2001); (Pubitemid 32959798)
-
(2001)
Proceedings of the National Academy of Sciences of the United States of America
, vol.98
, Issue.21
, pp. 11897-11902
-
-
Templeton, A.S.1
Trainor, T.P.2
Traina, S.J.3
Spormann, A.M.4
Brown Jr., G.E.5
-
9
-
-
0037162595
-
3/aqueous solution interfaces in the presence and absence of Se(VI)
-
DOI 10.1021/la015740f
-
T. P. Trainor, A. S. Templeton, G. E. Brown Jr., and G. A. Parks, Langmuir LANGD5 0743-7463 10.1021/la015740f 18, 5782 (2002); (Pubitemid 35383409)
-
(2002)
Langmuir
, vol.18
, Issue.15
, pp. 5782-5791
-
-
Trainor, T.P.1
Templeton, A.S.2
Brown Jr., G.E.3
Parks, G.A.4
-
10
-
-
1542375066
-
-
LANGD5 0743-7463 10.1021/la0354133
-
J. R. Barger, T. P. Trainor, J. P. Fitts, S. A. Chambers, and G. E. Brown Jr., Langmuir LANGD5 0743-7463 10.1021/la0354133 20, 1667 (2004).
-
(2004)
Langmuir
, vol.20
, pp. 1667
-
-
Barger, J.R.1
Trainor, T.P.2
Fitts, J.P.3
Chambers, S.A.4
Brown, Jr.G.E.5
-
11
-
-
65249129899
-
-
1932-7447 10.1021/jp807321e
-
S. E. Mason, C. R. Iceman, K. S. Tanwar, T. P. Trainor, and A. M. Chaka, J. Phys. Chem. C 1932-7447 10.1021/jp807321e 113, 2159 (2009);
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 2159
-
-
Mason, S.E.1
Iceman, C.R.2
Tanwar, K.S.3
Trainor, T.P.4
Chaka, A.M.5
-
12
-
-
0035850863
-
-
10.1126/science.294.5541.283a
-
G. E. Brown Jr., Science 10.1126/science.294.5541.283a 294, 69 (2001).
-
(2001)
Science
, vol.294
, pp. 69
-
-
Brown, Jr.G.E.1
-
13
-
-
0032497773
-
-
SUSCAS 0039-6028 10.1016/S0039-6028(98)00661-X
-
P. Liu, T. Kendelewicz, G. E. Brown Jr., E. J. Nelson, and S. A. Chambers, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(98)00661-X 417, 53 (1998).
-
(1998)
Surf. Sci.
, vol.417
, pp. 53
-
-
Liu, P.1
Kendelewicz, T.2
Brown, Jr.G.E.3
Nelson, E.J.4
Chambers, S.A.5
-
16
-
-
0035197742
-
Interpretation and prediction of triple-layer model capacitances and the structure of the oxide-electrolyte-water interface
-
DOI 10.1016/S0016-7037(01)00709-8, Special Issue dedicated to Hal Helgeson
-
D. A. Sverjensky, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/S0016-7037(01)00709-8 65, 3643 (2001). (Pubitemid 33112227)
-
(2001)
Geochimica et Cosmochimica Acta
, vol.65
, Issue.21
, pp. 3643-3655
-
-
Sverjensky, D.A.1
-
17
-
-
33744814903
-
3 (012)-aqueous solution interface
-
DOI 10.1021/la060177s
-
J. G. Catalano, C. Park, Z. Zhang, and P. Fenter, Langmuir LANGD5 0743-7463 10.1021/la060177s 22, 4668 (2006); (Pubitemid 43829148)
-
(2006)
Langmuir
, vol.22
, Issue.10
, pp. 4668-4673
-
-
Catalane, J.G.1
Park, C.2
Zhang, Z.3
Fenter, P.4
-
18
-
-
35649018084
-
Interfacial water structure on the (0 1 2) surface of hematite: Ordering and reactivity in comparison with corundum
-
DOI 10.1016/j.gca.2007.09.019, PII S0016703707005285
-
J. G. Catalano, P. Fenter, and C. Park, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/j.gca.2007.09.019 71, 5313 (2007). (Pubitemid 350028608)
-
(2007)
Geochimica et Cosmochimica Acta
, vol.71
, Issue.22
, pp. 5313-5324
-
-
Catalano, J.G.1
Fenter, P.2
Park, C.3
-
19
-
-
40949135922
-
-
GCACAK 0016-7037 10.1016/j.gca.2008.02.013
-
J. G. Catalano, C. Park, P. Fenter, and Z. Zhang, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/j.gca.2008.02.013 72, 1986 (2008).
-
(2008)
Geochim. Cosmochim. Acta
, vol.72
, pp. 1986
-
-
Catalano, J.G.1
Park, C.2
Fenter, P.3
Zhang, Z.4
-
21
-
-
33847255894
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.075425
-
C. S. Lo, K. S. Tanwar, A. M. Chaka, and T. P. Trainor, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.075425 75, 075425 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 075425
-
-
Lo, C.S.1
Tanwar, K.S.2
Chaka, A.M.3
Trainor, T.P.4
-
22
-
-
0037050208
-
3 (1 1 0 2) surface
-
DOI 10.1016/S0039-6028(01)01617-X, PII S003960280101617X
-
T. P. Trainor, P. Eng, G. E. Brown Jr., I. K. Robinson, and M. De Santis, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(01)01617-X 496, 238 (2002). (Pubitemid 34086332)
-
(2002)
Surface Science
, vol.496
, Issue.3
, pp. 238-250
-
-
Trainor, T.P.1
Eng, P.J.2
Brown Jr., G.E.3
Robinson, I.K.4
De Santis, M.5
-
23
-
-
33846119665
-
Surface diffraction study of the hydrated hematite (1 over(1) 0 2) surface
-
DOI 10.1016/j.susc.2006.10.021, PII S0039602806010739
-
K. S. Tanwar, C. S. Lo, P. J. Eng, J. G. Catalano, D. K. Walko, G. E. Brown Jr., G. A. Waychunas, A. C. Chaka, and T. P. Trainor, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2006.10.021 601, 460 (2007). (Pubitemid 46074094)
-
(2007)
Surface Science
, vol.601
, Issue.2
, pp. 460-474
-
-
Tanwar, K.S.1
Lo, C.S.2
Eng, P.J.3
Catalano, J.G.4
Walko, D.A.5
Brown Jr., G.E.6
Waychunas, G.A.7
Chaka, A.M.8
Trainor, T.P.9
-
24
-
-
35949007146
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.48.13115
-
G. Kresse, J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48. 13115 48, 13115 (1993);
-
(1993)
Phys. Rev. B
, vol.48
, pp. 13115
-
-
Kresse, G.1
Hafner, J.2
-
25
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
26
-
-
25744460922
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994);
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
27
-
-
0011236321
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
29
-
-
1842816907
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
-
H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
30
-
-
0000720337
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.40.3616
-
M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.3616 40, 3616 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3616
-
-
Methfessel, M.1
Paxton, A.T.2
-
31
-
-
84926585189
-
-
ZEKRDZ 0044-2968 10.1524/zkri.1962.117.2-3.235
-
R. E. Newnham and Y. M. de Haan, Zeits. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.1962.117.2-3.235 117, 235 (1962);
-
(1962)
Zeits. Kristallogr.
, vol.117
, pp. 235
-
-
Newnham, R.E.1
De Haan, Y.M.2
-
32
-
-
0000643422
-
-
R. L. Blake, R. E. Hessevick, T. Zoltai, and L. W. Finger, Am. Mineral. 51, 123 (1966).
-
(1966)
Am. Mineral.
, vol.51
, pp. 123
-
-
Blake, R.L.1
Hessevick, R.E.2
Zoltai, T.3
Finger, L.W.4
-
35
-
-
0035130127
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.63.024102
-
C. Wolverton and K. Hess, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.024102 63, 024102 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 024102
-
-
Wolverton, C.1
Hess, K.2
-
37
-
-
0011027791
-
-
PHLTAM 0031-9163 10.1016/0031-9163(65)90731-6
-
E. Kren, P. Szabo, and G. Konczos, Phys. Lett. PHLTAM 0031-9163 10.1016/0031-9163(65)90731-6 19, 103 (1965).
-
(1965)
Phys. Lett.
, vol.19
, pp. 103
-
-
Kren, E.1
Szabo, P.2
Konczos, G.3
-
38
-
-
0005484511
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.75.1126
-
D. D. Sarma, N. Shanthi, S. R. Barman, N. Hamada, H. Sawada, and K. Terakura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.1126 75, 1126 (1995);
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 1126
-
-
Sarma, D.D.1
Shanthi, N.2
Barman, S.R.3
Hamada, N.4
Sawada, H.5
Terakura, K.6
-
40
-
-
11544334495
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.81.1038
-
X.-G. Wang, W. Weiss, S. K. Shaikhutdinov, M. Ritter, M. Petersen, F. Wagner, R. Schlögl, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1038 81, 1038 (1998);
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 1038
-
-
Wang, X.-G.1
Weiss, W.2
Shaikhutdinov, S.K.3
Ritter, M.4
Petersen, M.5
Wagner, F.6
Schlögl, R.7
Scheffler, M.8
-
41
-
-
19744381466
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.70.125426
-
A. Rohrbach, J. Hafner, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.125426 70, 125426 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 125426
-
-
Rohrbach, A.1
Hafner, J.2
Kresse, G.3
-
42
-
-
0037080586
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.65.035406
-
K. Reuter and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.035406 65, 035406 (2002);
-
(2002)
Phys. Rev. B
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
-
44
-
-
0038302142
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.67.205424
-
Q. Sun, K. Reuter, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.205424 67, 205424 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 205424
-
-
Sun, Q.1
Reuter, K.2
Scheffler, M.3
-
45
-
-
0004157278
-
-
4th ed., edited by J. M. W. Chase (American Chemical Society, Washington, DC
-
NIST-JANAF Thermochemical Tables, 4th ed., edited by, J. M. W. Chase, (American Chemical Society, Washington, DC, 1998).
-
(1998)
NIST-JANAF Thermochemical Tables
-
-
-
46
-
-
4243983807
-
-
ASBSDK 0108-7681 10.1107/S0108768185002063
-
I. D. Brown and D. Altermatt, Acta Crystallogr. B ASBSDK 0108-7681 10.1107/S0108768185002063 41, 244 (1985).
-
(1985)
Acta Crystallogr. B
, vol.41
, pp. 244
-
-
Brown, I.D.1
Altermatt, D.2
-
47
-
-
0031568209
-
3
-
DOI 10.1006/jcis.1996.4574
-
J. R. Barger, S. N. Towle, G. E. Brown Jr., and G. A. Parks, J. Colloid Interface Sci. JCISA5 0021-9797 10.1006/jcis.1996.4574 185, 473 (1997). (Pubitemid 27466799)
-
(1997)
Journal of Colloid and Interface Science
, vol.185
, Issue.2
, pp. 473-492
-
-
Bargar, J.R.1
Towle, S.N.2
Brown Jr., G.E.3
Parks, G.A.4
-
48
-
-
33745753520
-
A fast and robust algorithm for Bader decomposition of charge density
-
DOI 10.1016/j.commatsci.2005.04.010, PII S0927025605001849
-
G. Henkelman, A. Arnaldsson, and H. Jónsson, Comput. Mater. Sci. 10.1016/j.commatsci.2005.04.010 36, 254 (2006); (Pubitemid 44382438)
-
(2006)
Computational Materials Science
, vol.36
, Issue.3
, pp. 354-360
-
-
Henkelman, G.1
Arnaldsson, A.2
Jonsson, H.3
-
49
-
-
33947658923
-
Improved grid-based algorithm for Bader charge allocation
-
DOI 10.1002/jcc.20575
-
E. Sanville, S. D. Kenny, R. Smith, and G. Henkelman, J. Comp. Chem. JCCHDD 0192-8651 10.1002/jcc.20575 28, 899 (2007); (Pubitemid 46491698)
-
(2007)
Journal of Computational Chemistry
, vol.28
, Issue.5
, pp. 899-908
-
-
Sanville, E.1
Kenny, S.D.2
Smith, R.3
Henkelman, G.4
-
51
-
-
43949110249
-
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
-
DOI 10.1063/1.2819245
-
G. Pacchioni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2819245 128, 182505 (2008). (Pubitemid 351707220)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.18
, pp. 182505
-
-
Pacchioni, G.1
-
52
-
-
33746485436
-
-
JINCAO 0022-1902 10.1016/0022-1902(61)80142-5
-
A. L. Allred, J. Inorg. Nucl. Chem. JINCAO 0022-1902 10.1016/0022- 1902(61)80142-5 17, 215 (1961).
-
(1961)
J. Inorg. Nucl. Chem.
, vol.17
, pp. 215
-
-
Allred, A.L.1
-
54
-
-
0042130332
-
-
G. V. Gibbs, D. F. Cox, M. B. Bolsen Jr., R. T. Downs, and N. L. Ross, Phys. Chem. Minerals 30, 305 (2003);
-
(2003)
Phys. Chem. Minerals
, vol.30
, pp. 305
-
-
Gibbs, G.V.1
Cox, D.F.2
Bolsen, Jr.M.B.3
Downs, R.T.4
Ross, N.L.5
-
55
-
-
21644448719
-
A mapping of the electron localization function for earth materials
-
DOI 10.1007/s00269-005-0463-x
-
G. V. Gibbs, D. F. Cox, N. L. Ross, T. D. Crawford, J. B. Burt, and K. M. Rosso, Phys. Chem. Minerals PCMIDU 0342-1791 10.1007/s00269-005-0463-x 32, 208 (2005). (Pubitemid 40936044)
-
(2005)
Physics and Chemistry of Minerals
, vol.32
, Issue.3
, pp. 208-221
-
-
Gibbs, G.V.1
Cox, D.F.2
Ross, N.L.3
Crawford, T.D.4
Burt, J.B.5
Rosso, K.M.6
|