-
1
-
-
34347326216
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.195128
-
C. Franchini, R. Podloucky, J. Paier, M. Marsman, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.195128 75, 195128 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 195128
-
-
Franchini, C.1
Podloucky, R.2
Paier, J.3
Marsman, M.4
Kresse, G.5
-
2
-
-
24044514287
-
-
JAPLD8 0021-4922 10.1143/JJAP.13.723
-
N. Yamamoto, T. Endo, M. Shimada, and T. Takada, Jpn. J. Appl. Phys. JAPLD8 0021-4922 10.1143/JJAP.13.723 13, 723 (1974).
-
(1974)
Jpn. J. Appl. Phys.
, vol.13
, pp. 723
-
-
Yamamoto, N.1
Endo, T.2
Shimada, M.3
Takada, T.4
-
3
-
-
0031274795
-
-
JALCEU 0925-8388 10.1016/S0925-8388(97)00351-4
-
H. Sato, J.-I. Yamaura, T. Enoki, and N. Yamamoto, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(97)00351-4 262, 443 (1997).
-
(1997)
J. Alloys Compd.
, vol.262
, pp. 443
-
-
Sato, H.1
Yamaura, J.-I.2
Enoki, T.3
Yamamoto, N.4
-
4
-
-
0000214910
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.12836
-
H. Sato, T. Enoki, J.-I. Yamaura, and N. Yamamoto, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.12836 59, 12836 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 12836
-
-
Sato, H.1
Enoki, T.2
Yamaura, J.-I.3
Yamamoto, N.4
-
6
-
-
32044453597
-
2 electrode for lithium batteries
-
DOI 10.1021/ja056811q
-
T. Ogasawara, A. Debart, M. Holzapfel, P. Novak, and P. G. Bruce, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja056811q 128, 1390 (2006). (Pubitemid 43192054)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.4
, pp. 1390-1393
-
-
Ogasawara, T.1
Debart, A.2
Holzapfel, M.3
Novak, P.4
Bruce, P.G.5
-
7
-
-
83655183076
-
-
1476-1122 10.1038/nmat3191
-
P. G. Bruce, S. A. Freunberger, L. J. Hardwick, and J. M. Tarascon, Nat. Mater. 1476-1122 10.1038/nmat3191 11, 19 (2012).
-
(2012)
Nat. Mater.
, vol.11
, pp. 19
-
-
Bruce, P.G.1
Freunberger, S.A.2
Hardwick, L.J.3
Tarascon, J.M.4
-
8
-
-
79957673636
-
-
JACSAT 0002-7863 10.1021/ja2021747
-
S. A. Freunberger, S. A. Chen, S. A. Peng, J. M. Griffin, L. J. Hardwick, F. Barde, P. Novak, and P. G. Bruce, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja2021747 133, 8040 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 8040
-
-
Freunberger, S.A.1
Chen, S.A.2
Peng, S.A.3
Griffin, J.M.4
Hardwick, L.J.5
Barde, F.6
Novak, P.7
Bruce, P.G.8
-
9
-
-
77954754227
-
-
1948-7185 10.1021/jz1005384
-
G. Girishkumar, B. McCloskey, A. C. Luntz, S. Swanson, and W. Wilcke, J. Phys. Chem. Lett. 1948-7185 10.1021/jz1005384 1, 2193 (2010).
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 2193
-
-
Girishkumar, G.1
McCloskey, B.2
Luntz, A.C.3
Swanson, S.4
Wilcke, W.5
-
10
-
-
79551603362
-
-
JESOAN 0013-4651 10.1149/1.3527055
-
P. Albertus, G. Girishkumar, B. McCloskey, R. S. Sanchez-Carrera, B. Kozinsky, J. Christensen, and A. C. Luntz, J. Electrochem. Soc. JESOAN 0013-4651 10.1149/1.3527055 158, A343 (2011).
-
(2011)
J. Electrochem. Soc.
, vol.158
, pp. 343
-
-
Albertus, P.1
Girishkumar, G.2
McCloskey, B.3
Sanchez-Carrera, R.S.4
Kozinsky, B.5
Christensen, J.6
Luntz, A.C.7
-
11
-
-
80055002182
-
-
MIGIEA 0927-796X 10.1016/j.mser.2011.06.001
-
M. K. Song, S. Park, F. M. Alamgir, J. Cho, and M. Liu, Mater. Sci. Eng., R MIGIEA 0927-796X 10.1016/j.mser.2011.06.001 72, 203 (2011).
-
(2011)
Mater. Sci. Eng., R
, vol.72
, pp. 203
-
-
Song, M.K.1
Park, S.2
Alamgir, F.M.3
Cho, J.4
Liu, M.5
-
12
-
-
84862868521
-
-
1755-4330 10.1038/nchem.1376
-
H. G. Jung, J. Hassoun, J. B. Park, Y. K. Sun, and B. Scrosati, Nat. Chem. 1755-4330 10.1038/nchem.1376 4, 579 (2012).
-
(2012)
Nat. Chem.
, vol.4
, pp. 579
-
-
Jung, H.G.1
Hassoun, J.2
Park, J.B.3
Sun, Y.K.4
Scrosati, B.5
-
13
-
-
53549112443
-
-
1433-7851 10.1002/anie.200705648
-
A. Debart, A. J. Paterson, J. Bao, and P. G. Bruce, Angew. Chem. Int. Ed. 1433-7851 10.1002/anie.200705648 47, 4521 (2008).
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 4521
-
-
Debart, A.1
Paterson, A.J.2
Bao, J.3
Bruce, P.G.4
-
14
-
-
78049376909
-
-
JPSODZ 0378-7753 10.1016/j.jpowsour.2010.09.031
-
A. Kraytsberg and Y. Ein-Eli, J. Power Sources JPSODZ 0378-7753 10.1016/j.jpowsour.2010.09.031 196, 886 (2011).
-
(2011)
J. Power Sources
, vol.196
, pp. 886
-
-
Kraytsberg, A.1
Ein-Eli, Y.2
-
16
-
-
84860745752
-
-
2155-5435 10.1021/cs300036v
-
Y. Shao, S. Park, J. Xiao, J. G. Zhang, Y. Wang, and J. Liu, ACS Catal. 2155-5435 10.1021/cs300036v 2, 844 (2012).
-
(2012)
ACS Catal.
, vol.2
, pp. 844
-
-
Shao, Y.1
Park, S.2
Xiao, J.3
Zhang, J.G.4
Wang, Y.5
Liu, J.6
-
17
-
-
78650303730
-
-
ACBEE3 0926-3373 10.1016/j.apcatb.2010.10.034
-
C. Wang, L. Sun, Q. Cao, B. Hu, Z. Huang, and X. Tang, Appl. Catal. B ACBEE3 0926-3373 10.1016/j.apcatb.2010.10.034 101, 598 (2011).
-
(2011)
Appl. Catal. B
, vol.101
, pp. 598
-
-
Wang, C.1
Sun, L.2
Cao, Q.3
Hu, B.4
Huang, Z.5
Tang, X.6
-
18
-
-
77954218025
-
-
1566-7367 10.1016/j.catcom.2010.03.011
-
X. Tang, J. Li, and J. Hao, Catal. Commun. 1566-7367 10.1016/j.catcom. 2010.03.011 11, 871 (2010).
-
(2010)
Catal. Commun.
, vol.11
, pp. 871
-
-
Tang, X.1
Li, J.2
Hao, J.3
-
19
-
-
79960954591
-
-
1359-7345 10.1039/c1cc12258d
-
V. B. R. Boppana and F. Jiao, Chem. Commun. 1359-7345 10.1039/c1cc12258d 47, 8973 (2011).
-
(2011)
Chem. Commun.
, vol.47
, pp. 8973
-
-
Boppana, V.B.R.1
Jiao, F.2
-
20
-
-
84864684053
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2012.06.061
-
E. Cockayne and L. Li, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2012.06.061 544, 53 (2012).
-
(2012)
Chem. Phys. Lett.
, vol.544
, pp. 53
-
-
Cockayne, E.1
Li, L.2
-
21
-
-
41849095114
-
Restoring the density-gradient expansion for exchange in solids and surfaces
-
DOI 10.1103/PhysRevLett.100.136406
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). (Pubitemid 351503187)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
22
-
-
84867761411
-
-
CMATEX 0897-4756 10.1021/cm302347j
-
C. Ling and F. Mizuno, Chem. Mater. CMATEX 0897-4756 10.1021/cm302347j 24, 3943 (2012).
-
(2012)
Chem. Mater.
, vol.24
, pp. 3943
-
-
Ling, C.1
Mizuno, F.2
-
24
-
-
34547139312
-
Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
-
DOI 10.1063/1.2204597
-
J. Heyd, G. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204597 124, 219906 (2006). (Pubitemid 43877849)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.21
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
25
-
-
0542442371
-
-
PHRVAO 0031-899X 10.1103/PhysRev.100.564
-
J. B. Goodenough, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.564 100, 564 (1955).
-
(1955)
Phys. Rev.
, vol.100
, pp. 564
-
-
Goodenough, J.B.1
-
26
-
-
0000051799
-
-
JPCSAW 0022-3697 10.1016/0022-3697(58)90107-0
-
J. B. Goodenough, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(58)90107-0 6, 287 (1958).
-
(1958)
J. Phys. Chem. Solids
, vol.6
, pp. 287
-
-
Goodenough, J.B.1
-
27
-
-
4244155852
-
-
JPCSAW 0022-3697 10.1016/0022-3697(59)90061-7
-
J. Kanamori, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(59) 90061-7 10, 87 (1959).
-
(1959)
J. Phys. Chem. Solids
, vol.10
, pp. 87
-
-
Kanamori, J.1
-
28
-
-
0004003420
-
-
M. J. Thornton (Springer, Berlin Heidelberg
-
D. Khomskii, Spin Electronics, Lecture Notes in Physics Vol. 569, edited by M. Ziese and, M. J. Thornton, (Springer, Berlin Heidelberg, 2001), pp. 89-116.
-
(2001)
Spin Electronics
, pp. 89-116
-
-
Khomskii, D.1
-
29
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, and I. Dabo, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
-
30
-
-
20144375330
-
First-principles codes for computational crystallography in the Quantum-ESPRESSO package
-
DOI 10.1524/zkri.220.5.574.65062
-
S. Scandolo, P. Giannozzi, C. Cavazzoni, S. De Gironcoli, A. Pasquarello, and S. Baroni, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.574.65062 220, 574 (2005). (Pubitemid 40778244)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 574-579
-
-
Scandolo, S.1
Giannozzi, P.2
Cavazzoni, C.3
De Gironcoli, S.4
Pasquarello, A.5
Baroni, S.6
-
31
-
-
20544463457
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
33
-
-
0000284436
-
-
JCPSA6 0021-9606 10.1063/1.478401
-
M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478401 110, 5029 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 5029
-
-
Ernzerhof, M.1
Scuseria, G.E.2
-
34
-
-
0001475454
-
-
JCPSA6 0021-9606 10.1063/1.478522
-
C. Adamo and V. Barone, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478522 110, 6158 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
35
-
-
0001486791
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.57.1505
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1505
-
-
Dudarev, S.L.1
Botton, G.A.2
Savrasov, S.Y.3
Humphreys, C.J.4
Sutton, A.P.5
-
37
-
-
0000747290
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.762
-
Z. Fang, I. V. Solovyev, H. Sawada, and K. Terakura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.762 59, 762 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 762
-
-
Fang, Z.1
Solovyev, I.V.2
Sawada, H.3
Terakura, K.4
-
38
-
-
33645716728
-
-
JPCHAX 0022-3654 10.1021/j100091a024
-
K. Kim and K. D. Jordan, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100091a024 98, 10089 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 10089
-
-
Kim, K.1
Jordan, K.D.2
-
39
-
-
33751157732
-
-
JPCHAX 0022-3654 10.1021/j100096a001
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100096a001 98, 11623 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
40
-
-
4243553426
-
-
0556-2791 10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A 0556-2791 10.1103/PhysRevA.38.3098 38, 3098 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
41
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
43
-
-
67249091725
-
-
JAPIAU 0021-8979 10.1063/1.3117495
-
J. Luo, H. Zhu, F. Zhang, J. Liang, G. Rao, J. Li, and Z. Du, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3117495 105, 093925 (2009).
-
(2009)
J. Appl. Phys.
, vol.105
, pp. 093925
-
-
Luo, J.1
Zhu, H.2
Zhang, F.3
Liang, J.4
Rao, G.5
Li, J.6
Du, Z.7
-
44
-
-
77952417180
-
-
1932-7447 10.1021/jp1006928
-
J. Luo, H. Zhu, J. Liang, G. Rao, J. Li, and Z. Du, J. Phys. Chem. C 1932-7447 10.1021/jp1006928 114, 8782 (2010).
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 8782
-
-
Luo, J.1
Zhu, H.2
Liang, J.3
Rao, G.4
Li, J.5
Du, Z.6
-
45
-
-
84877721253
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2013.03.003
-
N. Varini, D. Ceresoli, L. Martin-Samos, I. Girotto, and C. Cavazzoni, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2013.03.003 184, 1827 (2013).
-
(2013)
Comput. Phys. Commun.
, vol.184
, pp. 1827
-
-
Varini, N.1
Ceresoli, D.2
Martin-Samos, L.3
Girotto, I.4
Cavazzoni, C.5
-
46
-
-
0031384670
-
-
PSSTAW 0079-6786 10.1016/S0079-6786(97)81003-5
-
M. M. Thackeray, Prog. Solid State Chem. PSSTAW 0079-6786 10.1016/S0079-6786(97)81003-5 25, 1 (1997).
-
(1997)
Prog. Solid State Chem.
, vol.25
, pp. 1
-
-
Thackeray, M.M.1
-
47
-
-
8644258469
-
-
APPLAB 0003-6951 10.1063/1.1805699
-
J. B. Yang, X. D. Zhou, W. J. James, S. K. Malik, and C. S. Wang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1805699 85, 3160 (2004).
-
(2004)
Appl. Phys. Lett.
, vol.85
, pp. 3160
-
-
Yang, J.B.1
Zhou, X.D.2
James, W.J.3
Malik, S.K.4
Wang, C.S.5
-
48
-
-
84880824401
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.88.014202
-
Y. Crespo, A. Andreanov, and N. Seriani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.88.014202 88, 014202 (2013).
-
(2013)
Phys. Rev. B
, vol.88
, pp. 014202
-
-
Crespo, Y.1
Andreanov, A.2
Seriani, N.3
-
49
-
-
34547139150
-
-
JCPSA6 0021-9606 10.1063/1.2187006
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Angyan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2187006 124, 154709 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Angyan, J.G.6
|