Capping Black Phosphorene by h-BN Enhances Performances in Anodes for Li and Na Ion Batteries

ACS Energy Letters

Volumn 1, Issue 1, 2016, Pages 253-259

  Chowdhury, Chandra ^a   Karmakar, Sharmistha ^a   Datta, Ayan ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ANODES; BINDING ENERGY; BORON NITRIDE; ENERGY GAP; HETEROJUNCTIONS; LITHIUM-ION BATTERIES; METAL IONS; OPEN CIRCUIT VOLTAGE;

AMBIENT CONDITIONS; ANODE MATERIAL; CAPPING AGENT; DIRECT BAND GAP; ELECTRONIC PHASE TRANSITION; PACKING PATTERNS; SPECIFIC CAPACITIES; STRUCTURAL INSTABILITY;

SODIUM-ION BATTERIES;

EID: 84978795305     PISSN: None     EISSN: 23808195     Source Type: Journal    
DOI: 10.1021/acsenergylett.6b00164     Document Type: Article

References (42)

1. Goriparti, S.; Miele, E.; De Angelis, F.; Di Fabrizio, E.; Zaccaria, R. P.; Capiglia, C. Review on recent progress of nanostructured anode materials for Li-ion batteries J. Power Sources 2014, 257, 421-443 10.1016/j.jpowsour.2013.11.103
2. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V. a.; Grigorieva, I. V.; Firsov, A. A. Electric field effect in atomically thin carbon films Science 2004, 306, 666-669 10.1126/science.1102896
3. Geim, A. K.; Novoselov, K. S. The rise of graphene Nat. Mater. 2007, 6, 183-191 10.1038/nmat1849
4. Dahn, J. R.; Zheng, T.; Liu, Y.; Xue, J. S. Mechanisms for lithium insertion in carbonaceous materials Science 1995, 270, 590 10.1126/science.270.5236.590
5. Yang, S.; Feng, X.; Ivanovici, S.; Mullen, K. Fabrication of graphene-encapsulated oxide nanoparticles: towards high-performance anode materials for lithium storage Angew. Chem., Int. Ed. 2010, 49, 8408-8411 10.1002/anie.201003485
6. Lee, S.-K.; Rana, K.; Ahn, J.-H. Graphene films for flexible organic and energy storage devices J. Phys. Chem. Lett. 2013, 4, 831-841 10.1021/jz400005k
7. Park, M.-S.; Yu, J.-S.; Kim, K. J.; Jeong, G.; Kim, J.-H.; Jo, Y.-N.; Hwang, U. K.; Kang, S.; Woo, T.; Kim, Y.-J. One-step synthesis of a sulfur-impregnated graphene cathode for lithium-sulfur batteries Phys. Chem. Chem. Phys. 2012, 14, 6796-6804 10.1039/c2cp40727b
8. Wang, H.; Yang, Y.; Liang, Y.; Robinson, J. T.; Li, Y.; Jackson, A.; Cui, Y.; Dai, H. Graphene-wrapped sulfur particles as a rechargeable lithium-sulfur battery cathode material with high capacity and cycling stability Nano Lett. 2011, 11, 2644-2647 10.1021/nl200658a
9. 2 Monolayer: The Role of Strain and Concentration Int. J. Electrochem. Sci. 2013, 8, 2196-2203
10. 2 (X= F, OH) monolayer J. Am. Chem. Soc. 2012, 134, 16909-16916 10.1021/ja308463r
11. Xie, Y.; Naguib, M.; Mochalin, V. N.; Barsoum, M. W.; Gogotsi, Y.; Yu, X.; Nam, K.-W.; Yang, X.-Q.; Kolesnikov, A. I.; Kent, P. R. C. Role of surface structure on Li-ion energy storage capacity of two-dimensional transition-metal carbides J. Am. Chem. Soc. 2014, 136, 6385-6394 10.1021/ja501520b
12. Tritsaris, G. A.; Kaxiras, E.; Meng, S.; Wang, E. Adsorption and diffusion of lithium on layered silicon for Li-ion storage Nano Lett. 2013, 13, 2258-2263 10.1021/nl400830u
13. + with single-layer and few-layer graphene Nano Lett. 2010, 10, 3386-3388 10.1021/nl101223k
14. Fan, X.; Zheng, W. T.; Kuo, J.-L. Adsorption and diffusion of Li on pristine and defective graphene ACS Appl. Mater. Interfaces 2012, 4, 2432-2438 10.1021/am3000962
15. DiVincenzo, D. P.; Mele, E. J. Cohesion and structure in stage-1 graphite intercalation compounds Phys. Rev. B: Condens. Matter Mater. Phys. 1985, 32, 2538 10.1103/PhysRevB.32.2538
16. 2 for sodium ion battery: Electrochemical measurements and characterization Electrochim. Acta 2013, 92, 427-432 10.1016/j.electacta.2013.01.057
17. Li, L.; Yu, Y.; Ye, G. J.; Ge, Q.; Ou, X.; Wu, H.; Feng, D.; Chen, X. H.; Zhang, Y. Black phosphorus field-effect transistors Nat. Nanotechnol. 2014, 9, 372-377 10.1038/nnano.2014.35
18. Liu, H.; Neal, A. T.; Zhu, Z.; Luo, Z.; Xu, X.; Tomanek, D.; Ye, P. D. Phosphorene: an unexplored 2D semiconductor with a high hole mobility ACS Nano 2014, 8, 4033-4041 10.1021/nn501226z
19. Reich, E. S. Phosphorene excites materials scientists Nature 2014, 506, 19 10.1038/506019a
20. Zhao, S.; Kang, W.; Xue, J. The potential application of phosphorene as an anode material in Li-ion batteries J. Mater. Chem. A 2014, 2, 19046-19052 10.1039/C4TA04368E
21. Li, W.; Yang, Y.; Zhang, G.; Zhang, Y.-W. Ultrafast and directional diffusion of lithium in phosphorene for high-performance lithium-ion battery Nano Lett. 2015, 15, 1691-1697 10.1021/nl504336h
22. Kulish, V. V.; Malyi, O. I.; Persson, C.; Wu, P. Phosphorene as an anode material for Na-ion batteries: a first-principles study Phys. Chem. Chem. Phys. 2015, 17, 13921-13928 10.1039/C5CP01502B
23. Liu, X.; Wen, Y.; Chen, Z.; Shan, B.; Chen, R. A first-principles study of sodium adsorption and diffusion on phosphorene Phys. Chem. Chem. Phys. 2015, 17, 16398-16404 10.1039/C5CP02419F
24. Island, J. O.; Steele, G. A.; van der Zant, H. S. J.; Castellanos-Gomez, A. Environmental instability of few-layer black phosphorus 2D Mater. 2015, 2, 011002 10.1088/2053-1583/2/1/011002
25. Chen, X.; Wu, Y.; Wu, Z.; Han, Y.; Xu, S.; Wang, L.; Ye, W.; Han, T.; He, Y.; Cai, Y. High-quality sandwiched black phosphorus heterostructure and its quantum oscillations Nat. Commun. 2015, 6, 7315 10.1038/ncomms8315
26. Cao, Y.; Mishchenko, A.; Yu, G. L.; Khestanova, E.; Rooney, A. P.; Prestat, E.; Kretinin, A. V.; Blake, P.; Shalom, M. B.; Woods, C. et al. Quality heterostructures from two-dimensional crystals unstable in air by their assembly in inert atmosphere Nano Lett. 2015, 15, 4914-4921 10.1021/acs.nanolett.5b00648
27. Avsar, A.; Vera-Marun, I. J.; Tan, J. Y.; Watanabe, K.; Taniguchi, T.; Castro Neto, A. H.; Ozyilmaz, B. Air-stable transport in graphene-contacted, fully encapsulated ultrathin black phosphorus-based field-effect transistors ACS Nano 2015, 9, 4138-4145 10.1021/acsnano.5b00289
28. Cai, Y.; Zhang, G.; Zhang, Y.-W. Electronic properties of phosphorene/graphene and phosphorene/hexagonal boron nitride heterostructures J. Phys. Chem. C 2015, 119, 13929-13936 10.1021/acs.jpcc.5b02634
29. Guo, G.-C.; Wang, D.; Wei, X.-L.; Zhang, Q.; Liu, H.; Lau, W.-M.; Liu, L.-M. First-Principles Study of Phosphorene and Graphene Heterostructure as Anode Materials for Rechargeable Li Batteries J. Phys. Chem. Lett. 2015, 6, 5002-5008 10.1021/acs.jpclett.5b02513
30. Sun, J.; Lee, H.-W.; Pasta, M.; Yuan, H.; Zheng, G.; Sun, Y.; Li, Y.; Cui, Y. A phosphorene-graphene hybrid material as a high-capacity anode for sodium-ion batteries Nat. Nanotechnol. 2015, 10, 980-985 10.1038/nnano.2015.194
31. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials J. Phys.: Condens. Matter 2009, 21, 395502 10.1088/0953-8984/21/39/395502
32. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple Phys. Rev. Lett. 1996, 77, 3865 10.1103/PhysRevLett.77.3865
33. Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Phys. Rev. B: Condens. Matter Mater. Phys. 1990, 41, 7892 10.1103/PhysRevB.41.7892
34. Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction J. Comput. Chem. 2006, 27, 1787-1799 10.1002/jcc.20495
35. Kresse, G.; Hafner, J. Ab initio molecular dynamics for liquid metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558 10.1103/PhysRevB.47.558
36. Henkelman, G.; Arnaldsson, A.; Jonsson, H. A fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 2006, 36, 354-360 10.1016/j.commatsci.2005.04.010
37. 2 associative desorption from Ni (111): Could subsurface hydrogen play an important role? J. Chem. Phys. 2006, 124, 044706 10.1063/1.2161193
38. 2 as a positive electrode material for Li-ion batteries using first principles Phys. Chem. Chem. Phys. 2016, 18, 6799-6812 10.1039/C5CP07128C
39. 2 MXene as a high capacity electrode material for metal (Li, Na, K, Ca) ion batteries ACS Appl. Mater. Interfaces 2014, 6, 11173-11179 10.1021/am501144q
40. 2 monolayer: a promising 2D anode material for lithium ion batteries J. Phys. Chem. C 2013, 117, 25409-25413 10.1021/jp410969u
41. Sun, J.; Zheng, G.; Lee, H.-W.; Liu, N.; Wang, H.; Yao, H.; Yang, W.; Cui, Y. Formation of stable phosphorus-carbon bond for enhanced performance in black phosphorus nanoparticle-graphite composite battery anodes Nano Lett. 2014, 14, 4573-4580 10.1021/nl501617j
42. Stan, M. C.; von Zamory, J.; Passerini, S.; Nilges, T.; Winter, M. Puzzling out the origin of the electrochemical activity of black P as a negative electrode material for lithium-ion batteries J. Mater. Chem. A 2013, 1, 5293-5300 10.1039/c3ta10380c