Morphological dependence of lithium insertion in nanocrystalline TiO 2(B) nanoparticles and nanosheets

Journal of Physical Chemistry Letters

Volumn 3, Issue 15, 2012, Pages 2015-2019

  Dylla, Anthony G ^a   Xiao, Penghao ^a   Henkelman, Graeme ^a   Stevenson, Keith J ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREE OF FILLING; DIFFERENTIAL CAPACITY PLOTS; GALVANOSTATICS; LITHIATION; LITHIUM INSERTION; NANOARCHITECTURES; NANOCRYSTALLINE TIO; OPEN CHANNELS; SITE FILLING; TIO; VOLTAGE RANGES;

NANOPARTICLES; NANOSHEETS; TITANIUM DIOXIDE;

LITHIUM;

EID: 84864757042     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300766a     Document Type: Article

References (30)

1. Wagemaker, M.; Mulder, F. M. Properties and Promises of Nanosized Insertion Materials for Li-Ion Batteries Acc. Chem. Res. 2012, 10.1021/ar2001793
2. 2 and Its Application in Lithium-Ion Storage Adv. Funct. Mater. 2011, 21, 3231-3241
3. Bruce, P. G.; Scrosati, B.; Tarascon, J.-M. Nanomaterials for Rechargeable Lithium Batteries Angew. Chem., Int. Ed. 2008, 47, 2930-2946
4. Liu, J.; Liu, X.-W. Two-Dimensional Nanoarchitectures for Lithium Storage Adv. Mater. 2012, 10.1002/adma.201104993
5. 2 B Nanowires Adv. Mater. 2005, 17, 862-865
6. 2-B structure Chem. Commun. 2005, 2454
7. 2(B): An Anode for Lithium-Ion Batteries Angew. Chem., Int. Ed. 2012, 1-5
8. 2-B for Advanced Lithium Ion Batteries Adv. Mater. 2012, 24, 3201-3204
9. 2 (Anatase) Nanoparticles J. Phys. Chem. C 2007, 111, 14925-14931
10. 2(B) Nanosheets with Atomic Thickness and Their Photocatalytic Properties Chem. Commun. 2010, 46, 6801-6803
11. 2(B) Nanoparticles J. Phys. Chem. C 2009, 113, 13703-13706
12. 2(B) Bulk Using First-Principles Density Functional Theory Calculations J. Chem. Phys. 2009, 130, 204501
13. 2(B) Nanoparticles from a Water-Soluble Titanium Complex Chem. Mater. 2010, 1-4
14. 2 Made by Hydrothermal Growth Chem. Mater. 2004, 16, 477-485
15. 2(B) Chem. Mater. 2005, 17, 1248-1255
16. Liu, J.; Chen, J. S.; Wei, X.; Lou, X. W.; Liu, X.-W. Sandwich-Like, Stacked Ultrathin Titanate Nanosheets for Ultrafast Lithium Storage Adv. Mater. 2010, 23, 998-1002
17. Conway, B. E. Electrochemical Supercapacitors; Scientific Fundamentals and Technological Applications; Kluwer Academic/Plenum Publishers: New York, 1999; pp 221-241.
18. 2 Phys. Rev. B 2010, 82, 144119
19. Dathar, G. K. P.; Sheppard, D.; Stevenson, K. J.; Henkelman, G. Calculations of Li-Ion Diffusion in Olivine Phosphates Chem. Mater. 2011, 23, 4032-4037
20. 2-B Nanowires J. Nano Res. 2010, 1-8
21. 2-B: X-ray Absorption Spectroscopy Study J. Mater. Chem. 2011, 21, 15369
22. 2(B): A Structural and Computational Study Chem. Mater. 2010, 22, 6426-6432
23. 2-B Surf. Interface Anal. 2010, 42, 1330-1332
24. 2(B) from First Principles Chem. Mater. 2012, 24, 1568-1574
25. Kohn, W.; Becke, A. D.; Parr, R. G. Density Functional Theory of Electronic Structure J. Phys. Chem. 1996, 100, 12974-12980
26. Kohn, W. Self-Consistent Equations Including Exchange and Correlation Effects Phys. Rev. 1965, 140, A1133-A1138
27. Perdew, J. P. In Electronic Structure of Solids; Ziesche, P.; Eschrig, H., Eds. Akademie Verlag: Berlin, Germany, 1991; pp 11-20.
28. Kresse, G. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
29. 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
30. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter 1996, 54, 11169-11186