SCOPUS 정보 검색 플랫폼

Dalton Transactions

Volumn 42, Issue 13, 2013, Pages 4570-4578

On the role of strong electron correlations in the surface properties and chemistry of uranium dioxide

(4) Weck, Philippe F a Kim, Eunja b Jové Colón, Carlos F a Sassani, David C a

a SANDIA NATIONAL LABORATORIES (United States)

b UNIVERSITY OF NEVADA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC GROUND STATE; CHEMICAL INTERACTIONS; COULOMB REPULSIONS; DISSOCIATED WATERS; FERROMAGNETIC AND ANTI-FERROMAGNETIC; GENERALIZED GRADIENT APPROXIMATIONS; STRONG ELECTRON CORRELATIONS; SURFACE REACTIVITY;

ANTIFERROMAGNETISM; CHEMICAL PROPERTIES; DENSITY FUNCTIONAL THEORY; ELECTRON CORRELATIONS; MAGNETIC MOMENTS; MOLECULAR OXYGEN; SURFACE PROPERTIES;

URANIUM;

EID: 84874835148 PISSN: 14779226 EISSN: 14779234 Source Type: Journal
DOI: 10.1039/c3dt32536a Document Type: Article

Times cited : (33)

References (69)

1
- 0003989526
- CRC Press, Boca Raton, FL
- M. A. Blesa, P. J. Morando and A. E. Regazzoni, Chemical Dissolution of Metal Oxides, CRC Press, Boca Raton, FL, 1994
- (1994) Chemical Dissolution of Metal Oxides
- Blesa, M.A.¹ Morando, P.J.² Regazzoni, A.E.³

2
- 84984963652
- Wiley, New York
- W. Stumm, L. Sigg and B. Sulzberger, Chemistry of the Solid-Water Interface: Processes at the Mineral-Water and Particle-Water Interface in Natural Systems, Wiley, New York, 1992
- (1992) Chemistry of the Solid-Water Interface: Processes at the Mineral-Water and Particle-Water Interface in Natural Systems
- Stumm, W.¹ Sigg, L.² Sulzberger, B.³

3
- 0242393927
- B. McNamara B. Hanson B. E. Buck Mater. Res. Soc. Symp. Proc. 2003 757 401
- (2003) Mater. Res. Soc. Symp. Proc. , vol.757 , pp. 401
- McNamara, B.¹ Hanson, B.² Buck, B.E.³

4
- 0242582184
- K.-A. Hughes Kubatko K. B. Helean A. Navrotsky P. C. Burns Science 2003 302 1191
- (2003) Science , vol.302 , pp. 1191
- Hughes Kubatko, K.-A.¹ Helean, K.B.² Navrotsky, A.³ Burns, P.C.⁴

5
- 78649690870
- R. C. Ewing W. Runde T. E. Albrecht-Schmitt MRS Bull. 2010 35 859
- (2010) MRS Bull. , vol.35 , pp. 859
- Ewing, R.C.¹ Runde, W.² Albrecht-Schmitt, T.E.³

6
- 79959832490
- D. Cui J. Low K. Spahiu Energy Environ. Sci. 2011 4 2537
- (2011) Energy Environ. Sci. , vol.4 , pp. 2537
- Cui, D.¹ Low, J.² Spahiu, K.³

7
- 0006742435
- ed. R. Ward, Advances in Chemistry, American Chemical Society, Washington, D.C., ch. 6
- L. E. J. Roberts, in Nonstoichiometric Compounds, ed., R. Ward, Advances in Chemistry, American Chemical Society, Washington, D.C., 1963, ch. 6, vol. 39, p. 66
- (1963) Nonstoichiometric Compounds , vol.39 , pp. 66
- Roberts, L.E.J.¹

8
- 0001711086
- B. W. Veal Phys. Rev. B: Solid State 1974 10 4902
- (1974) Phys. Rev. B: Solid State , vol.10 , pp. 4902
- Veal, B.W.¹

9
- 0000433922
- Y. Baer J. Schoenes Solid State Commun. 1980 33 885
- (1980) Solid State Commun. , vol.33 , pp. 885
- Baer, Y.¹ Schoenes, J.²

10
- 37049085774
- J. Schoenes J. Chem. Soc., Faraday Trans. 2 1987 83 1205
- (1987) J. Chem. Soc., Faraday Trans. 2 , vol.83 , pp. 1205
- Schoenes, J.¹

11
- 0022763692
- A. J. Arko D. D. Koelling A. M. Boring W. P. Ellis L. E. Cox J. Less-Common Met. 1986 122 95
- (1986) J. Less-Common Met. , vol.122 , pp. 95
- Arko, A.J.¹ Koelling, D.D.² Boring, A.M.³ Ellis, W.P.⁴ Cox, L.E.⁵

12
- 77954830897
- L. Petit A. Svane Z. Szotek W. M. Temmerman G. M. Stocks Phys. Rev. B: Condens. Matter 2010 81 045108
- (2010) Phys. Rev. B: Condens. Matter , vol.81 , pp. 045108
- Petit, L.¹ Svane, A.² Szotek, Z.³ Temmerman, W.M.⁴ Stocks, G.M.⁵

13
- 0019024392
- A. Zunger J. P. Perdew G. L. Oliver Solid State Commun. 1980 34 933
- (1980) Solid State Commun. , vol.34 , pp. 933
- Zunger, A.¹ Perdew, J.P.² Oliver, G.L.³

14
- 26144450583
- J. P. Perdew A. Zunger Phys. Rev. B: Condens. Matter 1981 23 5048
- (1981) Phys. Rev. B: Condens. Matter , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

15
- 0001437693
- V. I. Anisimov J. Zaanen O. K. Andersen Phys. Rev. B: Condens. Matter 1991 44 943
- (1991) Phys. Rev. B: Condens. Matter , vol.44 , pp. 943
- Anisimov, V.I.¹ Zaanen, J.² Andersen, O.K.³

16
- 0012842779
- V. I. Anisimov F. Aryasetiawan A. I. Liechtenstein J. Phys.: Condens. Matter 1997 9 767
- (1997) J. Phys.: Condens. Matter , vol.9 , pp. 767
- Anisimov, V.I.¹ Aryasetiawan, F.² Liechtenstein, A.I.³

17
- 0001486791
- S. L. Dudarev G. A. Botton S. Y. Savrasov C. J. Humphreys A. P. Sutton Phys. Rev. B: Condens. Matter 1998 57 1505
- (1998) Phys. Rev. B: Condens. Matter , vol.57 , pp. 1505
- Dudarev, S.L.¹ Botton, G.A.² Savrasov, S.Y.³ Humphreys, C.J.⁴ Sutton, A.P.⁵

18
- 0010636925
- V. I. Anisimov A. I. Poteryaev M. A. Korotin A. O. Anokhin G. Kotliar J. Phys.: Condens. Matter 1997 9 7359
- (1997) J. Phys.: Condens. Matter , vol.9 , pp. 7359
- Anisimov, V.I.¹ Poteryaev, A.I.² Korotin, M.A.³ Anokhin, A.O.⁴ Kotliar, G.⁵

19
- 0006204053
- A. I. Liechtenstein M. I. Katsnelson Phys. Rev. B: Condens. Matter 1998 57 6884
- (1998) Phys. Rev. B: Condens. Matter , vol.57 , pp. 6884
- Liechtenstein, A.I.¹ Katsnelson, M.I.²

20
- 33747296859
- G. Kotliar S. Y. Savrasov K. Haule V. S. Oudovenko O. Parcollet C. A. Marianetti Rev. Mod. Phys. 2006 78 865
- (2006) Rev. Mod. Phys. , vol.78 , pp. 865
- Kotliar, G.¹ Savrasov, S.Y.² Haule, K.³ Oudovenko, V.S.⁴ Parcollet, O.⁵ Marianetti, C.A.⁶

21
- 34447120222
- I. D. Prodan G. E. Scuseria R. L. Martin Phys. Rev. B: Condens. Matter 2007 76 033101
- (2007) Phys. Rev. B: Condens. Matter , vol.76 , pp. 033101
- Prodan, I.D.¹ Scuseria, G.E.² Martin, R.L.³

22
- 0000082976
- P. W. Tasker Surf. Sci. 1979 78 315
- (1979) Surf. Sci. , vol.78 , pp. 315
- Tasker, P.W.¹

23
- 0033204116
- M. Abramowski R. W. Grimes S. Owens J. Nucl. Mater. 1999 275 12
- (1999) J. Nucl. Mater. , vol.275 , pp. 12
- Abramowski, M.¹ Grimes, R.W.² Owens, S.³

24
- 0035840169
- M. Abramowski S. E. Redfern R. W. Grimes S. Owens Surf. Sci. 2001 490 415
- (2001) Surf. Sci. , vol.490 , pp. 415
- Abramowski, M.¹ Redfern, S.E.² Grimes, R.W.³ Owens, S.⁴

25
- 23744515207
- A. Tan R. W. Grimes S. Owens J. Nucl. Mater. 2005 344 13
- (2005) J. Nucl. Mater. , vol.344 , pp. 13
- Tan, A.¹ Grimes, R.W.² Owens, S.³

26
- 33845268036
- F. N. Skomurski R. C. Ewing A. L. Rohl J. D. Gale U. Becker Am. Mineral. 2006 91 1761
- (2006) Am. Mineral. , vol.91 , pp. 1761
- Skomurski, F.N.¹ Ewing, R.C.² Rohl, A.L.³ Gale, J.D.⁴ Becker, U.⁵

27
- 84874838172
- JJ08-04
- P. J. Hay, MRS Symp. Proc., 2006, 893, 0893-JJ08-04
- (2006) MRS Symp. Proc. , vol.893 , pp. 0893
- Hay, P.J.¹

28
- 0037111953
- J. C. Boettger A. K. Ray Int. J. Quantum Chem. 2002 90 1470
- (2002) Int. J. Quantum Chem. , vol.90 , pp. 1470
- Boettger, J.C.¹ Ray, A.K.²

29
- 41549164239
- F. N. Skomurski L. C. Shuller R. C. Ewing U. Becker J. Nucl. Mater. 2008 375 290
- (2008) J. Nucl. Mater. , vol.375 , pp. 290
- Skomurski, F.N.¹ Shuller, L.C.² Ewing, R.C.³ Becker, U.⁴

30
- 58049198407
- R. Evarestov A. Bandura E. Blokhin Acta Mater. 2009 57 600
- (2009) Acta Mater. , vol.57 , pp. 600
- Evarestov, R.¹ Bandura, A.² Blokhin, E.³

31
- 84859158462
- A. M. Chaka G. A. E. Oxford J. E. Stubbs P. J. Eng J. R. Bargar Comput. Theor. Chem. 2012 987 90
- (2012) Comput. Theor. Chem. , vol.987 , pp. 90
- Chaka, A.M.¹ Oxford, G.A.E.² Stubbs, J.E.³ Eng, P.J.⁴ Bargar, J.R.⁵

32
- 2442537377
- G. Kresse J. Furthmüller Phys. Rev. B: Condens. Matter 1996 54 11169
- (1996) Phys. Rev. B: Condens. Matter , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

33
- 23244460838
- J. P. Perdew J. A. Chevary S. H. Vosko K. A. Jackson M. R. Pederson D. J. Singh C. Fiolhais Phys. Rev. B: Condens. Matter 1992 46 6671
- (1992) Phys. Rev. B: Condens. Matter , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

34
- 33645898818
- J. P. Perdew Y. Wang Phys. Rev. B: Condens. Matter 1992 45 13244
- (1992) Phys. Rev. B: Condens. Matter , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

35
- 34447279274
- P. F. Weck E. Kim N. Balakrishnan F. Poineau C. B. Yeamans K. R. Czerwinski Chem. Phys. Lett. 2007 443 82
- (2007) Chem. Phys. Lett. , vol.443 , pp. 82
- Weck, P.F.¹ Kim, E.² Balakrishnan, N.³ Poineau, F.⁴ Yeamans, C.B.⁵ Czerwinski, K.R.⁶

36
- 77249164266
- P. F. Weck E. Kim B. Masci P. Thuery K. R. Czerwinski Inorg. Chem. 2010 49 1465
- (2010) Inorg. Chem. , vol.49 , pp. 1465
- Weck, P.F.¹ Kim, E.² Masci, B.³ Thuery, P.⁴ Czerwinski, K.R.⁵

37
- 79957710321
- P. F. Weck C.-M. S. Gong E. Kim P. Thuery K. R. Czerwinski Dalton Trans. 2011 40 6007
- (2011) Dalton Trans. , vol.40 , pp. 6007
- Weck, P.F.¹ Gong, C.-M.S.² Kim, E.³ Thuery, P.⁴ Czerwinski, K.R.⁵

38
- 80155173039
- A. E. Thompson C. Wolverton Phys. Rev. B: Condens. Matter 2011 84 134111
- (2011) Phys. Rev. B: Condens. Matter , vol.84 , pp. 134111
- Thompson, A.E.¹ Wolverton, C.²

39
- 84864328713
- P. F. Weck E. Kim C. F. Jové-Colón D. C. Sassani Dalton Trans. 2012 41 9748
- (2012) Dalton Trans. , vol.41 , pp. 9748
- Weck, P.F.¹ Kim, E.² Jové-Colón, C.F.³ Sassani, D.C.⁴

40
- 0012225047
- A. Kotani T. Yamazaki Prog. Theor. Phys. (Suppl.) 1992 108 117
- (1992) Prog. Theor. Phys. (Suppl.) , vol.108 , pp. 117
- Kotani, A.¹ Yamazaki, T.²

41
- 84865268741
- X. Y. Liu D. A. Andersson B. P. Uberuaga J. Mater. Sci. 2012 47 7367
- (2012) J. Mater. Sci. , vol.47 , pp. 7367
- Liu, X.Y.¹ Andersson, D.A.² Uberuaga, B.P.³

42
- 78649729339
- B. Meredig A. Thompson H. A. Hansen C. Wolverton A. van de Waal Phys. Rev. B: Condens. Matter 2010 82 195128
- (2010) Phys. Rev. B: Condens. Matter , vol.82 , pp. 195128
- Meredig, B.¹ Thompson, A.² Hansen, H.A.³ Wolverton, C.⁴ Van De Waal, A.⁵

43
- 25744460922
- P. E. Blöchl Phys. Rev. B: Condens. Matter 1994 50 17953
- (1994) Phys. Rev. B: Condens. Matter , vol.50 , pp. 17953
- Blöchl, P.E.¹

44
- 0011236321
- G. Kresse D. Joubert Phys. Rev. B: Condens. Matter 1999 59 1758
- (1999) Phys. Rev. B: Condens. Matter , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

45
- 0001889388
- ed. G. H. F. Diercksen and S. Wilson, NATO Advanced Study Institute, Series C, Plenum, New York
- E. R. Davidson, in Methods in Computational Molecular Physics, ed., G. H. F. Diercksen, and, S. Wilson, NATO Advanced Study Institute, Series C, Plenum, New York, vol. 113, 1983, p. 95
- (1983) Methods in Computational Molecular Physics , vol.113 , pp. 95
- Davidson, E.R.¹

46
- 1842816907
- H. J. Monkhorst J. D. Pack Phys. Rev. B: Solid State 1976 13 5188
- (1976) Phys. Rev. B: Solid State , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

47
- 25044437775
- P. E. Blöchl O. Jepsen O. K. Andersen Phys. Rev. B: Condens. Matter 1994 49 16223
- (1994) Phys. Rev. B: Condens. Matter , vol.49 , pp. 16223
- Blöchl, P.E.¹ Jepsen, O.² Andersen, O.K.³

48
- 0003600525
- Cambridge University Press, Cambridge
- P. A. Cox, The Surface Science of Metal Oxides, Cambridge University Press, Cambridge, 1994
- (1994) The Surface Science of Metal Oxides
- Cox, P.A.¹

49
- 36149043992
- P. W. Tasker J. Phys. C: Solid State Phys. 1979 12 4977
- (1979) J. Phys. C: Solid State Phys. , vol.12 , pp. 4977
- Tasker, P.W.¹

50
- 50149111549
- L. E. Roy T. Durakiewicz R. L. Martin J. E. Peralata G. E. Scuseria C. G. Olson J. J. Joyce E. Guziewicz J. Comput. Chem. 2008 29 2288
- (2008) J. Comput. Chem. , vol.29 , pp. 2288
- Roy, L.E.¹ Durakiewicz, T.² Martin, R.L.³ Peralata, J.E.⁴ Scuseria, G.E.⁵ Olson, C.G.⁶ Joyce, J.J.⁷ Guziewicz, E.⁸

51
- 0003536561
- ASM International, Metals Park, OH, 2nd edn
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, ASM International, Metals Park, OH, 2nd edn, 1991
- (1991) Pearson's Handbook of Crystallographic Data for Intermetallic Phases
- Villars, P.¹ Calvert, L.²

52
- 0027109291
- J. Janeczek R. C. Ewing J. Nucl. Mater. 1992 190 128
- (1992) J. Nucl. Mater. , vol.190 , pp. 128
- Janeczek, J.¹ Ewing, R.C.²

53
- 0342850559
- W. P. Ellis J. Chem. Phys. 1968 48 5695
- (1968) J. Chem. Phys. , vol.48 , pp. 5695
- Ellis, W.P.¹

54
- 0007072641
- W. P. Ellis T. N. Taylor Surf. Sci. 1978 75 279
- (1978) Surf. Sci. , vol.75 , pp. 279
- Ellis, W.P.¹ Taylor, T.N.²

55
- 0005861633
- W. P. Ellis T. N. Taylor Surf. Sci. 1980 91 409
- (1980) Surf. Sci. , vol.91 , pp. 409
- Ellis, W.P.¹ Taylor, T.N.²

56
- 84859161164
- K. A. Thompson S. M. Valone W. P. Ellis T. N. Taylor C. J. Maggiore J. Vac. Sci. Technol., A 1984 2 1005
- (1984) J. Vac. Sci. Technol., A , vol.2 , pp. 1005
- Thompson, K.A.¹ Valone, S.M.² Ellis, W.P.³ Taylor, T.N.⁴ Maggiore, C.J.⁵

57
- 0000161889
- M. R. Castell C. Muggelberg G. A. D. Briggs D. T. Goddard J. Vac. Sci. Technol., B 1996 14 966
- (1996) J. Vac. Sci. Technol., B , vol.14 , pp. 966
- Castell, M.R.¹ Muggelberg, C.² Briggs, G.A.D.³ Goddard, D.T.⁴

58
- 0004951485
- M. R. Castell S. L. Dudarev C. Muggelberg A. P. Sutton G. A. D. Briggs D. T. Goddard J. Vac. Sci. Technol., A 1998 16 1055
- (1998) J. Vac. Sci. Technol., A , vol.16 , pp. 1055
- Castell, M.R.¹ Dudarev, S.L.² Muggelberg, C.³ Sutton, A.P.⁴ Briggs, G.A.D.⁵ Goddard, D.T.⁶

59
- 0017505173
- E. N. Hodkin M. G. Nicholas J. Nucl. Mater. 1977 67 171
- (1977) J. Nucl. Mater. , vol.67 , pp. 171
- Hodkin, E.N.¹ Nicholas, M.G.²

60
- 0017703756
- P. Nikolopoulos S. Nazare F. Thummler J. Nucl. Mater. 1977 71 89
- (1977) J. Nucl. Mater. , vol.71 , pp. 89
- Nikolopoulos, P.¹ Nazare, S.² Thummler, F.³

61
- 77249173712
- H. Idriss Surf. Sci. Rep. 2010 65 67
- (2010) Surf. Sci. Rep. , vol.65 , pp. 67
- Idriss, H.¹

62
- 0023345075
- R. Hall M. Mortimer D. Mortimer J. Nucl. Mater. 1987 148 237
- (1987) J. Nucl. Mater. , vol.148 , pp. 237
- Hall, R.¹ Mortimer, M.² Mortimer, D.³

63
- 0016091269
- F. Page D. Woolley Combust. Flame 1974 23 121
- (1974) Combust. Flame , vol.23 , pp. 121
- Page, F.¹ Woolley, D.²

64
- 0003612533
- Plenum Press, London
- V. S. Fomenko and G. V. Samsonov, Handbook of Thermionic Properties, Plenum Press, London, 1966
- (1966) Handbook of Thermionic Properties
- Fomenko, V.S.¹ Samsonov, G.V.²

65
- 0042331410
- M. T. Paffett D. Kelly S. A. Joyce J. Morris K. Veirs J. Nucl. Mater. 2003 322 45
- (2003) J. Nucl. Mater. , vol.322 , pp. 45
- Paffett, M.T.¹ Kelly, D.² Joyce, S.A.³ Morris, J.⁴ Veirs, K.⁵

66
- 3242711452
- S. D. Senanayake H. Idriss Surf. Sci. 2004 563 135
- (2004) Surf. Sci. , vol.563 , pp. 135
- Senanayake, S.D.¹ Idriss, H.²

67
- 33645521368
- P. C. Burns Can. Mineral. 2005 43 1839
- (2005) Can. Mineral. , vol.43 , pp. 1839
- Burns, P.C.¹

68
- 0003453901
- Van Nostrand Reinhold, New York
- G. Herzberg, Spectra of Diatomic Molecules, Van Nostrand Reinhold, New York, 1950
- (1950) Spectra of Diatomic Molecules
- Herzberg, G.¹

69
- 0346837587
- I. F. Ferguson J. D. M. McConnell Proc. R. Soc. London, A 1957 241 67
- (1957) Proc. R. Soc. London, A , vol.241 , pp. 67
- Ferguson, I.F.¹ McConnell, J.D.M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.