First-principles-inspired design strategies for graphene-based supercapacitor electrodes

Journal of Physical Chemistry C

Volumn 118, Issue 1, 2014, Pages 4-15

  Wood, Brandon C ^a   Ogitsu, Tadashi ^a   Otani, Minoru ^b   Biener, Juergen ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE STORAGE CAPACITY; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DESIGN STRATEGIES; MORPHOLOGICAL FEATURES; MULTILAYER CONFIGURATION; QUANTUM CAPACITANCE; SUPERCAPACITOR ELECTRODES; SURFACE RIPPLING;

CALCULATIONS; CAPACITANCE; ELECTRODES; GRAPHENE; POINT DEFECTS; SCREENING;

ELECTROLYTIC CAPACITORS;

EID: 84892594689     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4044013     Document Type: Article

References (64)

1. Brownson, D. A. C.; Kampouris, D. K.; Banks, C. E. Graphene Electrochemistry: Fundamental Concepts through to Prominent Applications Chem. Soc. Rev. 2012, 41, 6944-6976
2. Candelaria, S. L.; Shao, Y.; Zhou, W.; Li, X.; Xiao, J.; Zhang, J.-G.; Wang, Y.; Liu, J.; Li, J.; Cao, G. Nanostructured Carbon for Energy Storage and Conversion Nano Energy 2012, 1, 195-220
3. Chen, D.; Tang, L.; Li, J. Graphene-Based Materials in Electrochemistry Chem. Soc. Rev. 2010, 39, 3157-3180
4. Frackowiak, E. Carbon Materials for Supercapacitor Application Phys. Chem. Chem. Phys. 2007, 9, 1774-1785
5. Biener, J.; Stadermann, M.; Suss, M.; Worsley, M. A.; Biener, M. M.; Rose, K. A.; Baumann, T. F. Advanced Carbon Aerogels for Energy Applications Energy Environ. Sci. 2011, 4, 656-667
6. Pandolfo, A.; Hollenkamp, A. Carbon Properties and Their Role in Supercapacitors J. Power Sources 2006, 157, 11-27
7. Chmiola, J.; Yushin, G.; Gogotsi, Y.; Portet, C.; Simon, P.; Taberna, P. L. Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer Science 2006, 313, 1760-1763
8. Kalluri, R. K.; Biener, M. M.; Suss, M. E.; Merrill, M. D.; Stadermann, M.; Santiago, J. G.; Baumann, T. F.; Biener, J.; Striolo, A. Unraveling the Potential and Pore-size Dependent Capacitance of Slit-Shaped Graphitic Carbon Pores in Aqueous Electrolytes Phys. Chem. Chem. Phys. 2013, 15, 2309-2320
9. Gerischer, H. An Interpretation of the Double Layer Capacity of Graphite Electrodes in Relation to the Density of States at the Fermi Level J. Phys. Chem. 1985, 89, 4249-4251
10. Gerischer, H.; McIntyre, R.; Scherson, D.; Storck, W. Density of the Electronic States of Graphite: Derivation from Differential Capacitance Measurements J. Phys. Chem. 1987, 91, 1930-1935
11. Chen, F.; Qing, Q.; Xia, J.; Li, J.; Tao, N. Electrochemical Gate-Controlled Charge Transport in Graphene in Ionic Liquid and Aqueous Solution J. Am. Chem. Soc. 2009, 131, 9908-9909
12. Stoller, M. D.; Magnuson, C. W.; Zhu, Y.; Murali, S.; Suk, J. W.; Piner, R.; Ruoff, R. S. Interfacial Capacitance of Single Layer Graphene Energy Environ. Sci. 2011, 4, 4685-4689
13. Yamada, H.; Bandaru, P. R. Limits to the Magnitude of Capacitance in Carbon Nanotube Array Electrode Based Electrochemical Capacitors Appl. Phys. Lett. 2013, 102, 173113
14. Zhang, L. L.; Zhao, X.; Ji, H.; Stoller, M. D.; Lai, L.; Murali, S.; Mcdonnell, S.; Cleveger, B.; Wallace, R. M.; Ruoff, R. S. Nitrogen Doping of Graphene and Its Effect on Quantum Capacitance, and a New Insight on the Enhanced Capacitance of N-doped Carbon Energy Environ. Sci. 2012, 5, 9618-9625
15. Shi, H. Activated Carbons and Double Layer Capacitance Electrochim. Acta 1996, 41, 1633-1639
16. Barbieri, O.; Hahn, M.; Herzog, A.; Kötz, R. Capacitance Limits of High Surface Area Activated Carbons for Double Layer Capacitors Carbon 2005, 43, 1303-1310
17. Liu, C.; Yu, Z.; Neff, D.; Zhamu, A.; Jang, B. Z. Graphene-Based Supercapacitor with an Ultrahigh Energy Density Nano Lett. 2010, 10, 4863-4868
18. Hahn, M.; Baertschi, M.; Barbieri, O.; Sauter, J.-C.; Kötz, R.; Gallay, R. Interfacial Capacitance and Electronic Conductance of Activated Carbon Double-layer Electrodes Electrochem. Solid State Lett. 2004, 7, A33-A36
19. Biener, J.; Dasgupta, S.; Shao, L.-H.; Wang, D.; Worsley, M. A.; Wittstock, A.; Lee, J. R.; Biener, M. M.; Orme, C.; Kucheyev, S. O. Macroscopic 3D Nanographene with Dynamically Tunable Bulk Properties Adv. Mater. 2012, 24, 5083-5087
20. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. QUANTUM ESPRESSO: A Modular and Open-source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502
21. Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
23. Otani, M.; Sugino, O. First-Principles Calculations of Charged Surfaces and Interfaces: A Plane-Wave Nonrepeated Slab Approach Phys. Rev. B 2006, 73, 115407
24. Bockris, J. O.; Reddy, A. K. N.; Gamboa-Aldeco, M. E. Modern Electrochemistry 2A: Fundamentals of Electrodics, 2 nd ed.; Springer: Berlin, 2001.
25. Roling, B.; Drüschler, M. Comments on "Intrinsic Limitations of Impedance Measurements in Determining Electric Double Layer Capacitances" by Wang, H.;; Pilon, L. Electrochim. Acta 2012, 63, 55. Electrochim. Acta 2012, 76, 526-528.
26. Wang, H.; Pilon, L. Reply to Comments on "Intrinsic Limitations of Impedance Measurements in Determining Electric Double Layer Capacitances" by Wang, H.; Pilon, L. Electrochim. Acta 2012, 63, 55. Electrochim. Acta 2012, 76, 529-531.
27. Wang, H.; Pilon, L. Physical Interpretation of Cyclic Voltammetry for Measuring Electric Double Layer Capacitances Electrochim. Acta 2012, 64, 130-139
28. Xia, J.; Chen, F.; Li, J.; Tao, N. Measurement of the Quantum Capacitance of Graphene Nat. Nanotechnol. 2009, 4, 505-509
29. Fang, T.; Konar, A.; Xing, H.; Jena, D. Carrier Statistics and Quantum Capacitance of Graphene Sheets and Ribbons Appl. Phys. Lett. 2007, 91, 092109
30. Gillen, R.; Robertson, J. Density Functional Theory Screened-Exchange Approach for Investigating Electronical Properties of Graphene-related Materials Phys. Rev. B 2010, 82, 125406
31. Xu, H.; Zhang, Z.; Peng, L.-M. Measurements and Microscopic Model of Quantum Capacitance in Graphene Appl. Phys. Lett. 2011, 98, 133122
32. Ponomarenko, L. A.; Yang, R.; Gorbachev, R. V.; Blake, P.; Mayorov, A. S.; Novoselov, K. S.; Katsnelson, M. I.; Geim, A. K. Density of States and Zero Landau Level Probed through Capacitance of Graphene Phys. Rev. Lett. 2010, 105, 136801
33. Sprinkle, M. First Direct Observation of a Nearly Ideal Graphene Band Structure Phys. Rev. Lett. 2009, 103, 226803
34. Deacon, R. S.; Chuang, K.-C.; Nicholas, R. J.; Novoselov, K. S.; Geim, A. K. Cyclotron Resonance Study of the Electron and Hole Velocity in Graphene Monolayers Phys. Rev. B 2007, 76, 081406
35. Zhang, Y.; Tan, Y.-W.; Stormer, H. L.; Kim, P. Experimental Observation of the Quantum Hall Effect and Berry's Phase in Graphene Nature 2005, 438, 201-204
36. Orlita, M.; Faugeras, C.; Plochocka, P.; Neugebauer, P.; Martinez, G.; Maude, D. K.; Barra, A.-L.; Sprinkle, M.; Berger, C.; de Heer, W. A. Approaching the Dirac Point in High-Mobility Multilayer Epitaxial Graphene Phys. Rev. Lett. 2008, 101, 267601
37. Trevisanutto, P. E.; Giorgetti, C.; Reining, L.; Ladisa, M.; Olevano, V. Ab Initio GW Many-Body Effects in Graphene Phys. Rev. Lett. 2008, 101, 226405
38. Frackowiak, E.; Jurewicz, K.; Delpeux, S.; Béguin, F. Nanotubular Materials for Supercapacitors J. Power Sources 2001, 97-98, 822-825,Proceedings of the 10th International Meeting on Lithium Batteries
39. Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.; Novoselov, K. S.; Geim, A. K. The Electronic Properties of Graphene Rev. Mod. Phys. 2009, 81, 109-162
40. Henriksen, E. A.; Eisenstein, J. P. Measurement of the Electronic Compressibility of Bilayer Graphene Phys. Rev. B 2010, 82, 041412
41. Young, A. F.; Dean, C. R.; Meric, I.; Sorgenfrei, S.; Ren, H.; Watanabe, K.; Taniguchi, T.; Hone, J.; Shepard, K. L.; Kim, P. Electronic Compressibility of Layer-Polarized Bilayer Graphene Phys. Rev. B 2012, 85, 235458
42. Giannazzo, F.; Sonde, S.; Raineri, V.; Rimini, E. Screening Length and Quantum Capacitance in Graphene by Scanning Probe Microscopy Nano Lett. 2009, 9, 23-29
43. Dröscher, S.; Roulleau, P.; Molitor, F.; Studerus, P.; Stampfer, C.; Ensslin, K.; Ihn, T. Quantum Capacitance and Density of States of Graphene Appl. Phys. Lett. 2010, 96, 152104
44. Meyer, J. C.; Kisielowski, C.; Erni, R.; Rossell, M. D.; Crommie, M. F.; Zettl, A. Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes Nano Lett. 2008, 8, 3582-3586
45. Denis, P. A.; Iribarne, F. On the Hydrogen Addition to Graphene J. Mol. Struct.: THEOCHEM 2009, 907, 93-103
46. Duplock, E. J.; Scheffler, M.; Lindan, P. J. D. Hallmark of Perfect Graphene Phys. Rev. Lett. 2004, 92, 225502
47. Carlsson, J. M.; Scheffler, M. Structural, Electronic, and Chemical Properties of Nanoporous Carbon Phys. Rev. Lett. 2006, 96, 046806
48. Hoefer, M.; Bandaru, P. R. Determination and Enhancement of the Capacitance Contributions in Carbon Nanotube Based Electrode Systems Appl. Phys. Lett. 2009, 95, 183108
49. Hoefer, M. A.; Bandaru, P. R. Defect Engineering of the Electrochemical Characteristics of Carbon Nanotube Varieties J. Appl. Phys. 2010, 108, 034308
50. Hoefer, M.; Bandaru, P. Electrochemical Characteristics of Closely Spaced Defect Tuned Carbon Nanotube Arrays J. Electrochem. Soc. 2013, 160, H360-H367
51. Wang, D.-W.; Li, F.; Chen, Z.-G.; Lu, G. Q.; Cheng, H.-M. Synthesis and Electrochemical Property of Boron-Doped Mesoporous Carbon in Supercapacitor Chem. Mater. 2008, 20, 7195-7200
52. Kwon, T.; Nishihara, H.; Itoi, H.; Yang, Q.-H.; Kyotani, T. Enhancement Mechanism of Electrochemical Capacitance in Nitrogen-/Boron-Doped Carbons with Uniform Straight Nanochannels Langmuir 2009, 25, 11961-11968
53. Han, J.; Zhang, L. L.; Lee, S.; Oh, J.; Lee, K.-S.; Potts, J. R.; Ji, J.; Zhao, X.; Ruoff, R. S.; Park, S. Generation of B-Doped Graphene Nanoplatelets Using a Solution Process and Their Supercapacitor Applications ACS Nano 2013, 7, 19-26
54. Ni, Z. H.; Yu, T.; Lu, Y. H.; Wang, Y. Y.; Feng, Y. P.; Shen, Z. X. Uniaxial Strain on Graphene: Raman Spectroscopy Study and Band-Gap Opening ACS Nano 2008, 2, 2301-2305
55. Ferralis, N.; Maboudian, R.; Carraro, C. Evidence of Structural Strain in Epitaxial Graphene Layers on 6H-SiC(0001) Phys. Rev. Lett. 2008, 101, 156801
56. Bao, W.; Miao, F.; Chen, Z.; Zhang, H.; Jang, W.; Dames, C.; Lau, C. N. Controlled Ripple Texturing of Suspended Graphene and Ultrathin Graphite Membranes Nat. Nanotechnol. 2009, 4, 562-566
57. Kim, K. S.; Zhao, Y.; Jang, H.; Lee, S. Y.; Kim, J. M.; Kim, K. S.; Ahn, J.-H.; Kim, P.; Choi, J.-Y.; Hong, B. H. Large-Scale Pattern Growth of Graphene Films for Stretchable Transparent Electrodes Nature 2009, 457, 706-710
58. Tomori, H.; Kanda, A.; Goto, H.; Ootuka, Y.; Tsukagoshi, K.; Moriyama, S.; Watanabe, E.; Tsuya, D. Introducing Nonuniform Strain to Graphene Using Dielectric Nanopillars Appl. Phys. Express 2011, 4, 075102
59. Choi, S.-M.; Jhi, S.-H.; Son, Y.-W. Effects of Strain on Electronic Properties of Graphene Phys. Rev. B 2010, 81, 081407
60. Gui, G.; Li, J.; Zhong, J. Band Structure Engineering of Graphene by Strain: First-Principles Calculations Phys. Rev. B 2008, 78, 075435
61. Tsoukleri, G.; Parthenios, J.; Papagelis, K.; Jalil, R.; Ferrari, A. C.; Geim, A. K.; Novoselov, K. S.; Galiotis, C. Subjecting a Graphene Monolayer to Tension and Compression Small 2009, 5, 2397-2402
62. Kim, K.; Lee, Z.; Malone, B. D.; Chan, K. T.; Alemán, B.; Regan, W.; Gannett, W.; Crommie, M. F.; Cohen, M. L.; Zettl, A. Multiply Folded Graphene Phys. Rev. B 2011, 83, 245433
63. Liu, Z.; Suenaga, K.; Harris, P. J. F.; Iijima, S. Open and Closed Edges of Graphene Layers Phys. Rev. Lett. 2009, 102, 015501
64. Takagi, Y.; Okada, S. Asymmetrical Electronic Structure of Folded Graphene J. Phys. Soc. Jpn. 2010, 79, 033702