In situ raman study of phase stability of α-Li3V 2(PO4)3 upon thermal and laser heating

Journal of Physical Chemistry C

Volumn 117, Issue 23, 2013, Pages 11994-12002

  Membreño, Nellymar ^a   Xiao, Penghao ^a   Park, Kyu Sung ^a,b   Goodenough, John B ^a,b   Henkelman, Graeme ^a   Stevenson, Keith J ^a,b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROCHEMICAL STABILITIES; ELECTRODE MATERIAL; ELEVATED TEMPERATURE; GRAVIMETRIC CAPACITY; LITHIUM-ION BATTERY; OXYGEN-RICH ATMOSPHERES; STRUCTURAL PHASE TRANSITION; SYMMETRY ASSIGNMENT;

CATHODES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; IRRADIATION; LASER HEATING; LITHIUM ALLOYS; PHASE STABILITY; RAMAN SPECTROSCOPY;

LITHIUM;

EID: 84879082084     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp403282a     Document Type: Article

References (33)

1. 4 Cathode Material for Lithium-Ion Batteries Energy Environ. Sci. 2011, 4, 269-284
2. 3 J. Am. Chem. Soc. 2003, 125, 10402-10411
3. 3/Carbon Cathode for Rechargeable Lithium Batteries Adv. Mater. 2002, 14, 1525-1528
4. 3 as a Cathode Material for Lithium Ion Battery: Structure, Defect Chemistry, Lithium Ion Transport Pathway, and Dynamics J. Phys. Chem. C 2012, 116, 25190-25197
5. Baddour-Hadjean, R.; Pereira-Ramos, J.-P. Raman Microspectrometry Applied to the Study of Electrode Materials for Lithium Batteries Chem. Rev. 2009, 110, 1278-1319
6. 3 Electrochem. Solid-State Lett. 2003, 6, A80-A84
7. 3 Solid State Ionics 2007, 177, 3445-3454
8. Shu, J.; Shui, M.; Xu, D.; Gao, S.; Yi, T.; Wang, D. J.; Li, X.; Ren, Y. Design and Comparison of Ex Situ and In Situ Devices for Raman Characterization of Lithium Titanate Anode Material Ionics 2011, 17, 503-509
9. 5 for Lithium Rechargeable Batteries Appl. Spectrosc. 2006, 60, 490-493
10. Kim, Y. A.; Kojima, M.; Muramatsu, H.; Umemoto, S.; Watanabe, T.; Yoshida, K.; Sato, K.; Ikeda, T.; Hayashi, T.; Endo, M.; Terrones, M.; Dresselhaus, M. S. In Situ Raman Study on Single-and Double-Walled Carbon Nanotubes as a Function of Lithium Insertion Small 2006, 2, 667-676
11. 3 J. Phys. Chem. B 2006, 110, 7171-7177
12. Yin, S.-C.; Grondey, H.; Strobel, P.; Huang, H.; Nazar, L. F. Charge Ordering in Lithium Vanadium Phosphates: Electrode Materials for Lithium-Ion Batteries J. Am. Chem. Soc. 2002, 125, 326-327
13. 3 J. Power Sources 2003, 119-121, 278-284
14. Barj, M.; Lucazeau, G.; Delmas, C. Raman and Infrared Spectra of Some Chromium Nasicon-Type Materials: Short-Range Disorder Characterization J. Solid State Chem. 1992, 100, 141-150
15. 4 Structures J. Power Sources 2004, 134, 72-79
16. 3 (M = Sc, Fe) Compounds Near a Superionic Phase Transiton Solid State Ionics 1992, 50, 19-30
17. 4 (M = Ni, Co, Fe) and Raman Scattering of the Iron-Containing Compound J. Raman Spectrosc. 2005, 36, 213-220
18. Kohn, W.; Becke, A. D.; Parr, R. G. Density Functional Theory of Electronic Structure J. Phys. Chem. 1996, 100, 12974-12980
19. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207-8215
20. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
21. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
22. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
23. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
24. pyspglib for ASE; 2013. http://spglib.sourceforge.net/pyspglibForASE/ (Accessed February 15, 2013).
25. Canepa, P.; Hanson, R. M.; Ugliengo, P.; Alfredsson, M. J-ICE: A New Jmol Interface for Handling and Visualizing Crystallographic and Electronic Properties J. Appl. Crystallogr. 2011, 44, 225-229
26. 4: Thermal Effect and Phase Stability Upon Laser Heating J. Raman Spectrosc. 2011, 42, 831-838
27. 4): Laser-Induced Thermal Effects and Oxidation J. Raman Spectrosc. 2003, 34, 845-852
28. 3)(M = Fe, Sc, Cr): Synthesis, Structure and Electrophysical Properties Solid State Ionics 1990, 38, 31-52
29. 3 by Stabilizing High Temperature Orthorhombic Phase at Room Temperature Chem. Lett. 1999, 28, 1017-1018
30. 3 by Stabilizing the Orthorhombic Phase at Room Temperature Solid State Ionics 2000, 135, 137-142
31. 3 Cathode Materials for Lithium-Ion Batteries Electrochim. Acta 2010, 55, 1575-1581
32. 4 J. Raman Spectrosc. 1994, 25, 199-202
33. 3 with Enhanced Capacity J. Phys. Chem. B 2008, 112, 11250-11257