-
1
-
-
0035890440
-
Issues and challenges facing rechargeable lithium batteries
-
Tarascon, J.-M. & Armand, M. Issues and challenges facing rechargeable lithium batteries. Nature 414, 359367 (2001).
-
(2001)
Nature
, vol.414
, pp. 359367
-
-
Tarascon, J.-M.1
Armand, M.2
-
2
-
-
76249131385
-
Challenges for rechargeable Li batteries
-
Goodenough, J. B. & Kim, Y. Challenges for rechargeable Li batteries. Chem. Mater. 22, 587-603 (2010).
-
(2010)
Chem. Mater.
, vol.22
, pp. 587-603
-
-
Goodenough, J.B.1
Kim, Y.2
-
3
-
-
84873825623
-
The Li-ion rechargeable battery: A perspective
-
Goodenough, J. B. & Park, K.-S. The Li-ion rechargeable battery: A perspective. J. Am. Chem. Soc. 135, 1167-1176 (2013).
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 1167-1176
-
-
Goodenough, J.B.1
Park, K.-S.2
-
4
-
-
84883864394
-
Polyanionic (phosphates silicates sulfates) frameworks as electrode materials for rechargeable Li (or Na) batteries
-
Masquelier, C. & Croguennec, L. Polyanionic (phosphates, silicates, sulfates) frameworks as electrode materials for rechargeable Li (or Na) batteries. Chem. Rev. 113, 6552-6591 (2013).
-
(2013)
Chem. Rev.
, vol.113
, pp. 6552-6591
-
-
Masquelier, C.1
Croguennec, L.2
-
5
-
-
78651270377
-
Data mined ionic substitutions for the discovery of new compounds
-
Hautier, G., Fischer, C., Ehrlacher, V., Jain, A. & Ceder, G. Data mined ionic substitutions for the discovery of new compounds. Inorg. Chem. 50, 656-663 (2011).
-
(2011)
Inorg. Chem.
, vol.50
, pp. 656-663
-
-
Hautier, G.1
Fischer, C.2
Ehrlacher, V.3
Jain, A.4
Ceder, G.5
-
6
-
-
79961082148
-
Phosphates as lithium-ion battery cathodes: An evaluation based on high-Throughput Ab initio calculations
-
Hautier, G. et al. Phosphates as lithium-ion battery cathodes: An evaluation based on high-Throughput Ab initio calculations. Chem. Mater. 23, 3495-3508 (2011).
-
(2011)
Chem. Mater.
, vol.23
, pp. 3495-3508
-
-
Hautier, G.1
-
7
-
-
0001325964
-
Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
-
Aydinol, M. K., Kohan, A. F., Ceder, G., Cho, K. & Joannopoulos, J. Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides. Phys. Rev. B 56, 1354-1365 (1997).
-
(1997)
Phys. Rev.
, vol.B56
, pp. 1354-1365
-
-
Aydinol, M.K.1
Kohan, A.F.2
Ceder, G.3
Cho, K.4
Joannopoulos, J.5
-
8
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn, W. & Sham, L. J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133-A1138 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. A1133-A1138
-
-
Kohn, W.1
Sham, L.J.2
-
9
-
-
0000620927
-
Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling
-
Wang, Y. & Perdew, J. P. Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling. Phys. Rev. B 44, 13298-13307 (1991).
-
(1991)
Phys. Rev.
, vol.B44
, pp. 13298-13307
-
-
Wang, Y.1
Perdew, J.P.2
-
10
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation energy
-
Perdew, J. P. & Wang, Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B 45, 13244-13249 (1992).
-
(1992)
Phys. Rev.
, vol.B45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
11
-
-
84862232402
-
Carbonophosphates: A new family of cathode materials for Li-ion batteries identified computationally
-
Chen, H. et al. Carbonophosphates: a new family of cathode materials for Li-ion batteries identified computationally. Chem. Mater. 24, 2009-2016 (2012).
-
(2012)
Chem. Mater.
, vol.24
, pp. 2009-2016
-
-
Chen, H.1
-
12
-
-
84867637110
-
Origin of the 3.6 v to 3.9 v voltage increase in the LiFeSO4F cathodes for Li-ion batteries
-
Ben Yahia, M. et al. Origin of the 3.6 V to 3.9 V voltage increase in the LiFeSO4F cathodes for Li-ion batteries. Energy Environ. Sci. 5, 9584-9594 (2012).
-
(2012)
Energy Environ. Sci.
, vol.5
, pp. 9584-9594
-
-
Ben Yahia, M.1
-
13
-
-
15744379244
-
Vacancies in ordered and disordered binary alloys treated with the cluster expansion
-
Van der Ven, A. & Ceder, G. Vacancies in ordered and disordered binary alloys treated with the cluster expansion. Phys. Rev. B 71, 054102 (2005).
-
(2005)
Phys. Rev.
, vol.B71
, pp. 054102
-
-
Van Der Ven, A.1
Ceder, G.2
-
14
-
-
0031124233
-
Phospho-olivines as positive-electrode materials for rechargeable lithium batteries
-
Padhi, A. K., Nanjundaswamy, K. S. & Goodenough, J. B. D. Phospho-olivines as positive-electrode materials for rechargeable lithium batteries. J. Electrochem. Soc. 144, 1188-1194 (1997).
-
(1997)
J. Electrochem. Soc.
, vol.144
, pp. 1188-1194
-
-
Padhi, A.K.1
Nanjundaswamy, K.S.2
Goodenough, J.B.D.3
-
15
-
-
0031142514
-
Effect of structure on the Fe3+-Fe2+ redox couple in iron phosphates
-
Padhi, A. K., Nanjundaswamy, K. S., Masquelier, C., Okada, S. & Goodenough, J. B. Effect of structure on the Fe3+-Fe2+ redox couple in iron phosphates. J. Electrochem. Soc. 144, 1609-1613 (1997).
-
(1997)
J. Electrochem. Soc.
, vol.144
, pp. 1609-1613
-
-
Padhi, A.K.1
Nanjundaswamy, K.S.2
Masquelier, C.3
Okada, S.4
Goodenough, J.B.5
-
16
-
-
80053050545
-
A 3.90 v iron-based fluorosulphate material for lithium-ion batteries crystallizing in the triplite structure
-
Barpanda, P. et al. A 3.90 V iron-based fluorosulphate material for lithium-ion batteries crystallizing in the triplite structure. Nat. Mater. 10, 772-779 (2011).
-
(2011)
Nat. Mater.
, vol.10
, pp. 772-779
-
-
Barpanda, P.1
-
17
-
-
84868568349
-
Understanding and promoting the rapid preparation of the Triplite-phase of LiFeSO4F for use as a large-potential Fe cathode
-
Ati, M. et al. Understanding and promoting the rapid preparation of the Triplite-phase of LiFeSO4F for use as a large-potential Fe cathode. J. Am. Chem. Soc. 134, 18380-18387 (2012).
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 18380-18387
-
-
Ati, M.1
-
18
-
-
72449168332
-
A 3.6 v lithium-based fluorosulphate insertion positive electrode for lithium-ion batteries
-
Recham, N. et al. A 3.6 V lithium-based fluorosulphate insertion positive electrode for lithium-ion batteries. Nat. Mater. 9, 68-74 (2010).
-
(2010)
Nat. Mater.
, vol.9
, pp. 68-74
-
-
Recham, N.1
-
19
-
-
0020751051
-
The inorganic crystal structure data base
-
Bergerhoff, G., Hundt, R., Sievers, R. & Brown, I. D. The inorganic crystal structure data base. J. Chem. Inf. Comput. Sci. 23, 66-69 (1983).
-
(1983)
J. Chem. Inf. Comput. Sci.
, vol.23
, pp. 66-69
-
-
Bergerhoff, G.1
Hundt, R.2
Sievers, R.3
Brown, I.D.4
-
20
-
-
0346388342
-
New developments in the inorganic crystal structure database (ICSD): Accessibility in support of materials research and design
-
Belsky, A., Hellenbrandt, M., Karen, V. L. & Luksch, P. New developments in the inorganic crystal structure database (ICSD): accessibility in support of materials research and design. Acta Crystallogr. A 58, 364-369 (2002).
-
(2002)
Acta Crystallogr.
, vol.A58
, pp. 364-369
-
-
Belsky, A.1
Hellenbrandt, M.2
Karen, V.L.3
Luksch, P.4
-
21
-
-
84862217462
-
Crystallography Open Database (COD): An open-Access collection of crystal structures and platform for world-wide collaboration
-
Grazulis, S. et al. Crystallography Open Database (COD): an open-Access collection of crystal structures and platform for world-wide collaboration. Nucleic Acids Res. 40, D420-D427 (2012).
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. D420-D427
-
-
Grazulis, S.1
-
22
-
-
67651160601
-
Crystallography Open Database an open-Access collection of crystal structures
-
Grazulis, S. et al. Crystallography Open Database an open-Access collection of crystal structures. J. Appl. Crystallogr. 42, 726-729 (2009).
-
(2009)
J. Appl. Crystallogr.
, vol.42
, pp. 726-729
-
-
Grazulis, S.1
-
23
-
-
0037219785
-
The american mineralogist crystal structure database
-
Downs, R. T. & Hall-Wallace, M. The american mineralogist crystal structure database. Am. Mineral. 88, 247-250 (2003).
-
(2003)
Am. Mineral.
, vol.88
, pp. 247-250
-
-
Downs, R.T.1
Hall-Wallace, M.2
-
24
-
-
80052193621
-
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
-
Ong, S. P. et al. Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials. Energy Environ. Sci. 4, 3680-3688 (2011).
-
(2011)
Energy Environ. Sci.
, vol.4
, pp. 3680-3688
-
-
Ong, S.P.1
-
25
-
-
0001486791
-
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+ U study
-
Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J. & Sutton, A. P. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+ U study. Phys. Rev. B 57, 1505-1509 (1998).
-
(1998)
Phys. Rev.
, vol.B57
, pp. 1505-1509
-
-
Dudarev, S.L.1
Botton, G.A.2
Savrasov, S.Y.3
Humphreys, C.J.4
Sutton, A.P.5
-
27
-
-
84893691030
-
Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries
-
Lee, J. et al. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries. Science 343, 519-522 (2014).
-
(2014)
Science
, vol.343
, pp. 519-522
-
-
Lee, J.1
-
28
-
-
84905003195
-
Chemical and structural indicators for large redox potentials in Fe-based positive electrode materials
-
Melot, B. C. et al. Chemical and structural indicators for large redox potentials in Fe-based positive electrode materials. ACS Appl. Mater. Interface 6, 10832-10839 (2014).
-
(2014)
ACS Appl. Mater. Interface
, vol.6
, pp. 10832-10839
-
-
Melot, B.C.1
-
29
-
-
77957321867
-
New lithium iron pyrophosphate as 3.5 v class cathode material for lithium ion battery
-
Nishimura, S., Nakamura, M., Natsui, R. & Yamada, A. New lithium iron pyrophosphate as 3.5 V class cathode material for lithium ion battery. J. Am. Chem. Soc. 132, 13596-13597 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 13596-13597
-
-
Nishimura, S.1
Nakamura, M.2
Natsui, R.3
Yamada, A.4
-
30
-
-
84874862656
-
Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates: LiMSO4OH (M'Fe, Co, Mn) electrodes for Li-ion batteries
-
Subban, C. V. et al. Preparation, structure, and electrochemistry of layered polyanionic hydroxysulfates: LiMSO4OH (M'Fe, Co, Mn) electrodes for Li-ion batteries. J. Am. Chem. Soc. 135, 3653-3661 (2013).
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 3653-3661
-
-
Subban, C.V.1
-
31
-
-
84860153631
-
Single-step synthesis of FeSO4F1-y(OH)y (0ryr1) positive electrodes for Li-based batteries
-
Ati, M. et al. Single-step synthesis of FeSO4F1-y(OH)y (0ryr1) positive electrodes for Li-based batteries. Chem. Mater. 24, 1472-1485 (2012).
-
(2012)
Chem. Mater.
, vol.24
, pp. 1472-1485
-
-
Ati, M.1
-
32
-
-
84883202426
-
Reversible anionic redox chemistry in high-capacity layeredoxide electrodes
-
Sathiya, M. et al. Reversible anionic redox chemistry in high-capacity layeredoxide electrodes. Nat. Mater. 12, 827-835 (2013).
-
(2013)
Nat. Mater.
, vol.12
, pp. 827-835
-
-
Sathiya, M.1
-
33
-
-
84977266737
-
Die berechnung optischer und elektrostatischer gitterpotentiale
-
Ewald, P. P. Die berechnung optischer und elektrostatischer gitterpotentiale. Ann. Phys. 369, 253-287 (1921).
-
(1921)
Ann. Phys.
, vol.369
, pp. 253-287
-
-
Ewald, P.P.1
-
34
-
-
12844286241
-
Ab initio molecular dynamics for liquid metals
-
Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558-561 (1993).
-
(1993)
Phys. Rev.
, vol.B47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
35
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
Kresse, G. & Furthmller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15-50 (1996).
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmller, J.2
-
37
-
-
65449183764
-
A grid-based bader analysis algorithm without lattice bias
-
Tang, W., Sanville, E. & Henkelman, G. A grid-based bader analysis algorithm without lattice bias. J. Phys. Condens. Matter 21, 084204 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 084204
-
-
Tang, W.1
Sanville, E.2
Henkelman, G.3
-
38
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
39
-
-
13944258932
-
Firstprinciples prediction of redox potentials in transition-metal compounds with LDA+U
-
Zhou, F., Cococcioni, M., Marianetti, C., Morgan, D. & Ceder, G. Firstprinciples prediction of redox potentials in transition-metal compounds with LDA+U. Phys. Rev. B 70, 235121 (2004).
-
(2004)
Phys. Rev.
, vol.B70
, pp. 235121
-
-
Zhou, F.1
Cococcioni, M.2
Marianetti, C.3
Morgan, D.4
Ceder, G.5
-
40
-
-
25744460922
-
Projector augmented-wave method
-
Blochl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
-
(1994)
Phys. Rev.
, vol.B50
, pp. 17953-17979
-
-
Blochl, P.E.1
-
41
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
-
(1999)
Phys. Rev.
, vol.B59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
|