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Volumn 8, Issue 21, 2016, Pages 13449-13457

Blue Phosphorene/MS2 (M = Nb, Ta) Heterostructures As Promising Flexible Anodes for Lithium-Ion Batteries

Author keywords

electronic structures; first principles calculations; flexible anodes; Li adsorption properties; van der Waals heterostructures

Indexed keywords

ANODES; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRODES; ELECTRONIC STRUCTURE; LITHIUM; LITHIUM ALLOYS; LITHIUM COMPOUNDS; STABILITY; VAN DER WAALS FORCES;

EID: 84973327161     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.6b03368     Document Type: Article
Times cited : (180)

References (53)
  • 1
    • 84923815016 scopus 로고    scopus 로고
    • Graphene, Related Two-Dimensional Crystals, and Hybrid Systems for Energy Conversion and Storage
    • Bonaccorso, F.; Colombo, L.; Yu, G.; Stoller, M.; Tozzini, V.; Ferrari, A. C.; Ruoff, R. S.; Pellegrini, V. Graphene, Related Two-Dimensional Crystals, and Hybrid Systems for Energy Conversion and Storage Science 2015, 347, 1246501 10.1126/science.1246501
    • (2015) Science , vol.347 , pp. 1246501
    • Bonaccorso, F.1    Colombo, L.2    Yu, G.3    Stoller, M.4    Tozzini, V.5    Ferrari, A.C.6    Ruoff, R.S.7    Pellegrini, V.8
  • 2
    • 84899057374 scopus 로고    scopus 로고
    • Two Dimensional Nanomaterials for Flexible Supercapacitors
    • Peng, X.; Peng, L.; Wu, C.; Xie, Y. Two Dimensional Nanomaterials for Flexible Supercapacitors Chem. Soc. Rev. 2014, 43, 3303-3323 10.1039/c3cs60407a
    • (2014) Chem. Soc. Rev. , vol.43 , pp. 3303-3323
    • Peng, X.1    Peng, L.2    Wu, C.3    Xie, Y.4
  • 3
    • 84876475877 scopus 로고    scopus 로고
    • All-Graphene Core-Sheath Microfibers for All-Solid-State, Stretchable Fibriform Supercapacitors and Wearable Electronic Textiles
    • Meng, Y.; Zhao, Y.; Hu, C.; Cheng, H.; Hu, Y.; Zhang, Z.; Shi, G.; Qu, L. All-Graphene Core-Sheath Microfibers for All-Solid-State, Stretchable Fibriform Supercapacitors and Wearable Electronic Textiles Adv. Mater. 2013, 25, 2326-2331 10.1002/adma.201300132
    • (2013) Adv. Mater. , vol.25 , pp. 2326-2331
    • Meng, Y.1    Zhao, Y.2    Hu, C.3    Cheng, H.4    Hu, Y.5    Zhang, Z.6    Shi, G.7    Qu, L.8
  • 4
    • 0035890440 scopus 로고    scopus 로고
    • Issues and Challenges Facing Rechargeable Lithium Batteries
    • Tarascon, J.-M.; Armand, M. Issues and Challenges Facing Rechargeable Lithium Batteries Nature 2001, 414, 359-367 10.1038/35104644
    • (2001) Nature , vol.414 , pp. 359-367
    • Tarascon, J.-M.1    Armand, M.2
  • 6
    • 84929457332 scopus 로고    scopus 로고
    • Composite of Graphite/Phosphorus as Anode for Lithium-Ion Batteries
    • Bai, A.; Wang, L.; Li, J.; He, X.; Wang, J.; Wang, J. Composite of Graphite/Phosphorus as Anode for Lithium-Ion Batteries J. Power Sources 2015, 289, 100-104 10.1016/j.jpowsour.2015.04.168
    • (2015) J. Power Sources , vol.289 , pp. 100-104
    • Bai, A.1    Wang, L.2    Li, J.3    He, X.4    Wang, J.5    Wang, J.6
  • 7
    • 84951984425 scopus 로고    scopus 로고
    • First-Principles Study of Phosphorene and Graphene Heterostructure as Anode Materials for Rechargeable Li Batteries
    • 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
    • (2015) J. Phys. Chem. Lett. , vol.6 , pp. 5002-5008
    • Guo, G.-C.1    Wang, D.2    Wei, X.-L.3    Zhang, Q.4    Liu, H.5    Lau, W.-M.6    Liu, L.-M.7
  • 10
    • 84875413255 scopus 로고    scopus 로고
    • The Chemistry of Two-Dimensional Layered Transition Metal Dichalcogenide Nanosheets
    • Chhowalla, M.; Shin, H. S.; Eda, G.; Li, L.-J.; Loh, K. P.; Zhang, H. The Chemistry of Two-Dimensional Layered Transition Metal Dichalcogenide Nanosheets Nat. Chem. 2013, 5, 263-275 10.1038/nchem.1589
    • (2013) Nat. Chem. , vol.5 , pp. 263-275
    • Chhowalla, M.1    Shin, H.S.2    Eda, G.3    Li, L.-J.4    Loh, K.P.5    Zhang, H.6
  • 11
    • 84913583273 scopus 로고    scopus 로고
    • Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
    • Eames, C.; Islam, M. S. Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials J. Am. Chem. Soc. 2014, 136, 16270-16276 10.1021/ja508154e
    • (2014) J. Am. Chem. Soc. , vol.136 , pp. 16270-16276
    • Eames, C.1    Islam, M.S.2
  • 14
    • 84885611796 scopus 로고    scopus 로고
    • Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts
    • Zhuang, H. L.; Hennig, R. G. Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts J. Phys. Chem. C 2013, 117, 20440-20445 10.1021/jp405808a
    • (2013) J. Phys. Chem. C , vol.117 , pp. 20440-20445
    • Zhuang, H.L.1    Hennig, R.G.2
  • 16
    • 84948665002 scopus 로고    scopus 로고
    • Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes
    • Yang, E.; Ji, H.; Jung, Y. Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes J. Phys. Chem. C 2015, 119, 26374-26380 10.1021/acs.jpcc.5b09935
    • (2015) J. Phys. Chem. C , vol.119 , pp. 26374-26380
    • Yang, E.1    Ji, H.2    Jung, Y.3
  • 17
    • 84881167566 scopus 로고    scopus 로고
    • Van der Waals Heterostructures
    • Geim, A.; Grigorieva, I. Van der Waals Heterostructures Nature 2013, 499, 419-425 10.1038/nature12385
    • (2013) Nature , vol.499 , pp. 419-425
    • Geim, A.1    Grigorieva, I.2
  • 18
    • 84858331964 scopus 로고    scopus 로고
    • Laser Scribing of High-Performance and Flexible Graphene-Based Electrochemical Capacitors
    • El-Kady, M. F.; Strong, V.; Dubin, S.; Kaner, R. B. Laser Scribing of High-Performance and Flexible Graphene-Based Electrochemical Capacitors Science 2012, 335, 1326-1330 10.1126/science.1216744
    • (2012) Science , vol.335 , pp. 1326-1330
    • El-Kady, M.F.1    Strong, V.2    Dubin, S.3    Kaner, R.B.4
  • 20
    • 84873057863 scopus 로고    scopus 로고
    • High-Performance Current Saturating Graphene Field-Effect Transistor with Hexagonal Boron Nitride Dielectric on Flexible Polymeric Substrates
    • Lee, J.; Ha, T.-J.; Parrish, K. N.; Chowdhury, S. F.; Tao, L.; Dodabalapur, A.; Akinwande, D. High-Performance Current Saturating Graphene Field-Effect Transistor with Hexagonal Boron Nitride Dielectric on Flexible Polymeric Substrates IEEE Electron Device Lett. 2013, 34, 172-174 10.1109/LED.2012.2233707
    • (2013) IEEE Electron Device Lett. , vol.34 , pp. 172-174
    • Lee, J.1    Ha, T.-J.2    Parrish, K.N.3    Chowdhury, S.F.4    Tao, L.5    Dodabalapur, A.6    Akinwande, D.7
  • 23
    • 84955171668 scopus 로고    scopus 로고
    • Scalable Clean Exfoliation of High-Quality Few-Layer Black Phosphorus for a Flexible Lithium Ion Battery
    • Chen, L.; Zhou, G.; Liu, Z.; Ma, X.; Chen, J.; Zhang, Z.; Ma, X.; Li, F.; Cheng, H. M.; Ren, W. Scalable Clean Exfoliation of High-Quality Few-Layer Black Phosphorus for a Flexible Lithium Ion Battery Adv. Mater. 2016, 28, 510-517 10.1002/adma.201503678
    • (2016) Adv. Mater. , vol.28 , pp. 510-517
    • Chen, L.1    Zhou, G.2    Liu, Z.3    Ma, X.4    Chen, J.5    Zhang, Z.6    Ma, X.7    Li, F.8    Cheng, H.M.9    Ren, W.10
  • 24
    • 84899739990 scopus 로고    scopus 로고
    • Semiconducting Layered Blue Phosphorus: A Computational Study
    • Zhu, Z.; Tománek, D. Semiconducting Layered Blue Phosphorus: A Computational Study Phys. Rev. Lett. 2014, 112, 176802 10.1103/PhysRevLett.112.176802
    • (2014) Phys. Rev. Lett. , vol.112 , pp. 176802
    • Zhu, Z.1    Tománek, D.2
  • 25
    • 84905014867 scopus 로고    scopus 로고
    • Phase Coexistence and Metal-Insulator Transition in Few-Layer Phosphorene: A Computational Study
    • Guan, J.; Zhu, Z.; Tománek, D. Phase Coexistence and Metal-Insulator Transition in Few-Layer Phosphorene: A Computational Study Phys. Rev. Lett. 2014, 113, 046804 10.1103/PhysRevLett.113.046804
    • (2014) Phys. Rev. Lett. , vol.113 , pp. 046804
    • Guan, J.1    Zhu, Z.2    Tománek, D.3
  • 27
    • 84881232047 scopus 로고    scopus 로고
    • Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides
    • Li, J.; Medhekar, N. V.; Shenoy, V. B. Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides J. Phys. Chem. C 2013, 117, 15842-15848 10.1021/jp403986v
    • (2013) J. Phys. Chem. C , vol.117 , pp. 15842-15848
    • Li, J.1    Medhekar, N.V.2    Shenoy, V.B.3
  • 28
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 30
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 31
    • 72249104051 scopus 로고    scopus 로고
    • Chemical Accuracy for the van der Waals Density Functional
    • Klimeš, J.; Bowler, D. R.; Michaelides, A. Chemical Accuracy for the van der Waals Density Functional J. Phys.: Condens. Matter 2010, 22, 022201 10.1088/0953-8984/22/2/022201
    • (2010) J. Phys.: Condens. Matter , vol.22 , pp. 022201
    • Klimeš, J.1    Bowler, D.R.2    Michaelides, A.3
  • 33
    • 33947658923 scopus 로고    scopus 로고
    • Improved Grid-Based Algorithm for Bader Charge Allocation
    • Sanville, E.; Kenny, S. D.; Smith, R.; Henkelman, G. Improved Grid-Based Algorithm for Bader Charge Allocation J. Comput. Chem. 2007, 28, 899-908 10.1002/jcc.20575
    • (2007) J. Comput. Chem. , vol.28 , pp. 899-908
    • Sanville, E.1    Kenny, S.D.2    Smith, R.3    Henkelman, G.4
  • 34
    • 34548392577 scopus 로고    scopus 로고
    • Ab Initio Calculation of Ideal Strength and Phonon Instability of Graphene under Tension
    • Liu, F.; Ming, P.; Li, J. Ab Initio Calculation of Ideal Strength and Phonon Instability of Graphene under Tension Phys. Rev. B: Condens. Matter Mater. Phys. 2007, 76, 064120 10.1103/PhysRevB.76.064120
    • (2007) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.76 , pp. 064120
    • Liu, F.1    Ming, P.2    Li, J.3
  • 35
    • 84978903401 scopus 로고    scopus 로고
    • Superior Mechanical Flexibility of Phosphorene and Few-Layer Black Phosphorus
    • Wei, Q.; Peng, X. Superior Mechanical Flexibility of Phosphorene and Few-Layer Black Phosphorus Appl. Phys. Lett. 2014, 104, 251915 10.1063/1.4885215
    • (2014) Appl. Phys. Lett. , vol.104 , pp. 251915
    • Wei, Q.1    Peng, X.2
  • 36
    • 84930648684 scopus 로고    scopus 로고
    • n (n = 1, 2 and 3) and Their Functionalized MXenes Predicted by Density Functional Theories
    • n (n = 1, 2 and 3) and Their Functionalized MXenes Predicted by Density Functional Theories Phys. Chem. Chem. Phys. 2015, 17, 15348-15354 10.1039/C5CP00775E
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 15348-15354
    • Guo, Z.1    Zhou, J.2    Si, C.3    Sun, Z.4
  • 37
    • 0014626731 scopus 로고
    • The System Niobium-Sulfur
    • Kadijk, F.; Jellinek, F. The System Niobium-Sulfur J. Less-Common Met. 1969, 19, 421-430 10.1016/0022-5088(69)90187-8
    • (1969) J. Less-Common Met. , vol.19 , pp. 421-430
    • Kadijk, F.1    Jellinek, F.2
  • 39
    • 84921422716 scopus 로고    scopus 로고
    • Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries
    • Xie, Y.; Dall'Agnese, Y.; Naguib, M.; Gogotsi, Y.; Barsoum, M. W.; Zhuang, H. L.; Kent, P. R. Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries ACS Nano 2014, 8, 9606-9615 10.1021/nn503921j
    • (2014) ACS Nano , vol.8 , pp. 9606-9615
    • Xie, Y.1    Dall'Agnese, Y.2    Naguib, M.3    Gogotsi, Y.4    Barsoum, M.W.5    Zhuang, H.L.6    Kent, P.R.7
  • 42
    • 84861890021 scopus 로고    scopus 로고
    • Van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations
    • Björkman, T.; Gulans, A.; Krasheninnikov, A. V.; Nieminen, R. M. Van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations Phys. Rev. Lett. 2012, 108, 235502-235507 10.1103/PhysRevLett.108.235502
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 235502-235507
    • Björkman, T.1    Gulans, A.2    Krasheninnikov, A.V.3    Nieminen, R.M.4
  • 44
    • 79151485909 scopus 로고    scopus 로고
    • 4-type Structure: A Class of Hard and Refractory Materials
    • 4-type Structure: A Class of Hard and Refractory Materials Comput. Mater. Sci. 2011, 50, 1559-1566 10.1016/j.commatsci.2010.12.015
    • (2011) Comput. Mater. Sci. , vol.50 , pp. 1559-1566
    • Miao, N.1    Sa, B.2    Zhou, J.3    Sun, Z.4
  • 45
    • 84952920956 scopus 로고    scopus 로고
    • 4/CdS Heterostructure: A Hybrid DFT Study
    • 4/CdS Heterostructure: A Hybrid DFT Study J. Phys. Chem. C 2015, 119, 28417-28423 10.1021/acs.jpcc.5b09092
    • (2015) J. Phys. Chem. C , vol.119 , pp. 28417-28423
    • Liu, J.1
  • 46
    • 36549100412 scopus 로고
    • A Simple Measure of Electron Localization in Atomic and Molecular Systems
    • Becke, A. D.; Edgecombe, K. E. A Simple Measure of Electron Localization in Atomic and Molecular Systems J. Chem. Phys. 1990, 92, 5397-5403 10.1063/1.458517
    • (1990) J. Chem. Phys. , vol.92 , pp. 5397-5403
    • Becke, A.D.1    Edgecombe, K.E.2
  • 48
    • 84943554963 scopus 로고    scopus 로고
    • Two-Dimensional Graphene Heterojunctions: The Tunable Mechanical Properties
    • Xia, K.; Zhan, H.; Gu, Y. Two-Dimensional Graphene Heterojunctions: The Tunable Mechanical Properties Carbon 2015, 95, 1061-1068 10.1016/j.carbon.2015.09.022
    • (2015) Carbon , vol.95 , pp. 1061-1068
    • Xia, K.1    Zhan, H.2    Gu, Y.3
  • 49
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
    • Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Science 2008, 321, 385-388 10.1126/science.1157996
    • (2008) Science , vol.321 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 50
    • 84870157422 scopus 로고    scopus 로고
    • Electronic Strengthening of Graphene by Charge Doping
    • Si, C.; Duan, W.; Liu, Z.; Liu, F. Electronic Strengthening of Graphene by Charge Doping Phys. Rev. Lett. 2012, 109, 226802 10.1103/PhysRevLett.109.226802
    • (2012) Phys. Rev. Lett. , vol.109 , pp. 226802
    • Si, C.1    Duan, W.2    Liu, Z.3    Liu, F.4
  • 52
    • 84929119546 scopus 로고    scopus 로고
    • Theoretical Prediction of Anode Materials in Li-Ion Batteries on Layered Black and Blue Phosphorus
    • Li, Q.-F.; Duan, C.-G.; Wan, X.; Kuo, J.-L. Theoretical Prediction of Anode Materials in Li-Ion Batteries on Layered Black and Blue Phosphorus J. Phys. Chem. C 2015, 119, 8662-8670 10.1021/jp512411g
    • (2015) J. Phys. Chem. C , vol.119 , pp. 8662-8670
    • Li, Q.-F.1    Duan, C.-G.2    Wan, X.3    Kuo, J.-L.4
  • 53
    • 38949102073 scopus 로고    scopus 로고
    • Building Better Batteries
    • Armand, M.; Tarascon, J.-M. Building Better Batteries Nature 2008, 451, 652-657 10.1038/451652a
    • (2008) Nature , vol.451 , pp. 652-657
    • Armand, M.1    Tarascon, J.-M.2


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