Ab initio study of graphene-like monolayer molybdenum disulfide as a promising anode material for rechargeable sodium ion batteries

RSC Advances

Volumn 4, Issue 81, 2014, Pages 43183-43188

  Su, Jingcang ^a   Pei, Yong ^a   Yang, Zhenhua ^b   Wang, Xianyou ^a  

^a XIANGTAN UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ANODE MATERIAL; GRAPHENE LIKES; MOLYBDENUM DISULFIDE; SODIUM ION BATTERIES;

EID: 84907854873     PISSN: None     EISSN: 20462069     Source Type: Journal    
DOI: 10.1039/c4ra06557c     Document Type: Article

References (33)

1. S. Kim D. Seo X. Ma et al. Electrode Materials for rechargeable sodium-ion batteries potential alternatives to current lithium-ion batteries[J] Adv. Energy Mater. 2012 2 7 710 721
2. V. Palomares P. Serras I. Villaluenga et al. Na-ion batteries, recent advances and present challenges to become low cost energy storage systems[J] Energy Environ. Sci. 2012 5 3 5884 5901
3. M. D. Slater D. Kim E. Lee et al. Sodium-Ion Batteries[J] Adv. Funct. Mater. 2012 123 8 947 958
4. J. Sangster C-Na, (Carbon-Sodium) System[J] J. Phase Equilib. Diffus. 2007 28 6 571 579
5. D. A. Stevens J. R. Dahn The mechanisms of lithium and sodium insertion in carbon materials[J] J. Electrochem. Soc. 2001 148 8 A803 A811
6. H. Wang H. Feng J. Li Graphene and Graphene-like Layered Transition Metal Dichalcogenides in Energy Conversion and Storage[J] Small 2014 10 11 2165 2181
7. M. Chhowalla H. S. Shin G. Eda et al. The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets[J] Nat. Chem. 2013 5 4 263 275
8. 2 for sodium ion battery: Electrochemical measurements and characterization[J] Electrochim. Acta 2013 92 427 432
9. 2) nanocomposites[J] Energy Environ. Sci. 2014 7 1 209 231
10. 2/graphene composites with excellent electrochemical performances for lithium ion batteries[J] ACS Nano 2011 5 6 4720 4728
11. 2 transistors[J] Nat. Nanotechnol. 2011 6 3 147 150
12. C. Lee Q. Li W. Kalb et al. Frictional characteristics of atomically thin sheets[J] Science 2010 328 5974 76 80
13. 2/amorphous carbon composites with high capacity and excellent stability as anode materials for lithium ion batteries[J] J. Mater. Chem. 2011 21 17 6251 6257
14. 2 nanocomposite as an anode material for lithium ion batteries[J] Chem. Mater. 2010 22 16 4522 4524
15. G. Du Z. Guo S. Wang et al. Superior stability and high capacity of restacked molybdenum disulfide as anode material for lithium ion batteries[J] Chem. Commun. 2010 46 7 1106 1108
16. 2/graphene Composite Paper For Sodium-Ion Battery Electrodes[J] ACS Nano 2014 8 2 1759 1770
17. 2/C Composite As a High-Performance Anode for Sodium Ion Batteries[C], presented at the 17th International Meeting on Lithium Batteries, June 10-14, 2014
18. G. Kresse J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J] Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 16 11169
19. G. Kresse D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method[J] Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 3 1758
20. F. Ortmann F. Bechstedt W. G. Schmidt Semiempirical van der Waals correction to the density functional description of solids and molecular structures[J] Phys. Rev. B: Condens. Matter Mater. Phys. 2006 73 20 205101
21. G. Henkelman H. Jonsson Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points[J] J. Chem. Phys. 2000 113 22 9978 9985
22. R. A. Olsen G. J. Kroes G. Henkelman et al. Comparison of methods for finding saddle points without knowledge of the final states[J] J. Chem. Phys. 2004 121 20 9776 9792
23. 2, a new metallic modification of molybdenum disulfide[J] Chem. Commun. 1992 19 1386 1388
24. 2 nanotubes[J] Phys. Rev. Lett. 2000 85 1 146
25. 2[J] Acta Crystallogr., Sect. B: Struct. Sci. 1983 39 4 404 407
26. J. A. Wilson A. D. Yoffe The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties[J] Adv. Phys. 1969 18 73 193 335
27. 2 and related compounds[J] Can. J. Phys. 1983 61 1 76 84
28. 2[J] Phys. Chem. Chem. Phys. 2001 3 23 5326 5336
29. J. A. Wilson A. D. Yoffe The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties[J] Adv. Phys. 1969 18 73 193 335
30. R. F. Bader, Atoms in molecules[M], Wiley Online Library, 1990
31. G. Henkelman A. Arnaldsson H. Jonsson A fast and robust algorithm for Bader decomposition of charge density[J] Comput. Mater. Sci. 2006 36 3 354 360
32. M. K. Aydinol A. F. Kohan G. Ceder et al. Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides[J] Phys. Rev. B: Condens. Matter Mater. Phys. 1997 56 3 1354
33. 2-C composite[J] Chem. Commun. 2014 50 10730 10733