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Volumn 213, Issue , 2016, Pages 865-870

Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation

Author keywords

first principles; germanene; Li ions; Silicene; stanene

Indexed keywords

BINDING ENERGY; BINDING SITES; BINS; CALCULATIONS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; LITHIUM; LITHIUM-ION BATTERIES;

EID: 84982965812     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2016.08.027     Document Type: Article
Times cited : (290)

References (46)
  • 2
    • 33847690144 scopus 로고    scopus 로고
    • The rise of graphene
    • [2] Geim, A.K., Novoselov, K.S., The rise of graphene. Nat. Mater. 6 (2007), 183–191, 10.1038/nmat1849.
    • (2007) Nat. Mater. , vol.6 , pp. 183-191
    • Geim, A.K.1    Novoselov, K.S.2
  • 4
    • 47749150628 scopus 로고    scopus 로고
    • Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
    • [4] Lee, C., Wei, X., Kysar, J.W., Hone, J., Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene. Science (80-.) 321 (2008), 385–388, 10.1126/science.1157996.
    • (2008) Science (80-.) , vol.321 , pp. 385-388
    • Lee, C.1    Wei, X.2    Kysar, J.W.3    Hone, J.4
  • 5
    • 79960644631 scopus 로고    scopus 로고
    • Thermal properties of graphene and nanostructured carbon materials
    • [5] Balandin, A.A., Thermal properties of graphene and nanostructured carbon materials. Nat. Mater. 10 (2011), 569–581, 10.1038/nmat3064.
    • (2011) Nat. Mater. , vol.10 , pp. 569-581
    • Balandin, A.A.1
  • 6
    • 34548136635 scopus 로고    scopus 로고
    • Deep ultraviolet light-emitting hexagonal boron nitride synthesized at atmospheric pressure
    • [6] Kubota, Y., Watanabe, K., Tsuda, O., Taniguchi, T., Deep ultraviolet light-emitting hexagonal boron nitride synthesized at atmospheric pressure. Science 317 (2007), 932–934, 10.1126/science.1144216.
    • (2007) Science , vol.317 , pp. 932-934
    • Kubota, Y.1    Watanabe, K.2    Tsuda, O.3    Taniguchi, T.4
  • 7
    • 77955566830 scopus 로고    scopus 로고
    • Large scale growth and characterization of atomic hexagonal boron nitride layers
    • [7] Song, L., Ci, L., Lu, H., Sorokin, P.B., Jin, C., Ni, J., et al. Large scale growth and characterization of atomic hexagonal boron nitride layers. Nano Lett. 10 (2010), 3209–3215, 10.1021/nl1022139.
    • (2010) Nano Lett. , vol.10 , pp. 3209-3215
    • Song, L.1    Ci, L.2    Lu, H.3    Sorokin, P.B.4    Jin, C.5    Ni, J.6
  • 8
    • 77952830220 scopus 로고    scopus 로고
    • Graphene-like silicon nanoribbons on Ag(110): a possible formation of silicene
    • [8] Aufray, B., Kara, A., Vizzini, Ś., Oughaddou, H., Ĺandri, C., Ealet, B., et al. Graphene-like silicon nanoribbons on Ag(110): a possible formation of silicene. Appl. Phys. Lett., 96, 2010, 10.1063/1.3419932.
    • (2010) Appl. Phys. Lett. , vol.96
    • Aufray, B.1    Kara, A.2    Vizzini, Ś.3    Oughaddou, H.4    Ĺandri, C.5    Ealet, B.6
  • 9
    • 84859790102 scopus 로고    scopus 로고
    • Silicene: compelling experimental evidence for graphenelike two-dimensional silicon
    • [9] Vogt, P., De Padova, P., Quaresima, C., Avila, J., Frantzeskakis, E., Asensio, M.C., et al. Silicene: compelling experimental evidence for graphenelike two-dimensional silicon. Phys. Rev. Lett., 108, 2012, 10.1103/physrevlett.108.155501.
    • (2012) Phys. Rev. Lett. , vol.108
    • Vogt, P.1    De Padova, P.2    Quaresima, C.3    Avila, J.4    Frantzeskakis, E.5    Asensio, M.C.6
  • 10
    • 84876535705 scopus 로고    scopus 로고
    • Stability and exfoliation of germanane: A germanium graphane analogue
    • [10] Bianco, E., Butler, S., Jiang, S., Restrepo, O.D., Windl, W., Goldberger, J.E., Stability and exfoliation of germanane: A germanium graphane analogue. ACS Nano. 7 (2013), 4414–4421, 10.1021/nn4009406.
    • (2013) ACS Nano. , vol.7 , pp. 4414-4421
    • Bianco, E.1    Butler, S.2    Jiang, S.3    Restrepo, O.D.4    Windl, W.5    Goldberger, J.E.6
  • 11
    • 84942373771 scopus 로고    scopus 로고
    • Epitaxial Growth of Two-Dimensional Stanene
    • [11] Zhu, F., Chen, W., Xu, Y., Gao, C., Guan, D., Liu, C., Epitaxial Growth of Two-Dimensional Stanene. arXiv., 2015, 1–20, 10.1038/nmat4384.
    • (2015) arXiv. , pp. 1-20
    • Zhu, F.1    Chen, W.2    Xu, Y.3    Gao, C.4    Guan, D.5    Liu, C.6
  • 12
    • 84881167566 scopus 로고    scopus 로고
    • Van der Waals heterostructures
    • [12] Geim, A.K., Grigorieva, I.V., Van der Waals heterostructures. Nature 499 (2013), 419–425, 10.1038/nature12385.
    • (2013) Nature , vol.499 , pp. 419-425
    • Geim, A.K.1    Grigorieva, I.V.2
  • 13
    • 84869074729 scopus 로고    scopus 로고
    • Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
    • [13] Wang, Q.H., Kalantar-Zadeh, K., Kis, A., Coleman, J.N., Strano, M.S., Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 7 (2012), 699–712, 10.1038/nnano.2012.193.
    • (2012) Nat. Nanotechnol. , vol.7 , pp. 699-712
    • Wang, Q.H.1    Kalantar-Zadeh, K.2    Kis, A.3    Coleman, J.N.4    Strano, M.S.5
  • 15
    • 84912574921 scopus 로고    scopus 로고
    • Ambipolar phosphorene field effect transistor
    • [15] Das, S., Demarteau, M., Roelofs, A., Ambipolar phosphorene field effect transistor. ACS Nano 8 (2014), 11730–11738, 10.1021/nn505868h.
    • (2014) ACS Nano , vol.8 , pp. 11730-11738
    • Das, S.1    Demarteau, M.2    Roelofs, A.3
  • 16
    • 84901193930 scopus 로고    scopus 로고
    • Black phosphorus field-effect transistors
    • [16] Li, L., Yu, Y., Ye, G.J., Ge, Q., Ou, X., Wu, H., et al. Black phosphorus field-effect transistors. Nat. Nanotechnol. 9 (2014), 372–377, 10.1038/nnano.2014.35.
    • (2014) Nat. Nanotechnol. , vol.9 , pp. 372-377
    • Li, L.1    Yu, Y.2    Ye, G.J.3    Ge, Q.4    Ou, X.5    Wu, H.6
  • 17
    • 84935856423 scopus 로고    scopus 로고
    • Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium-Sulfur Batteries
    • [17] Zhang, Q., Wang, Y., Seh, Z.W., Fu, Z., Zhang, R., Cui, Y., Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium-Sulfur Batteries. Nano Lett. 15 (2015), 3780–3786, 10.1021/acs.nanolett.5b00367.
    • (2015) Nano Lett. , vol.15 , pp. 3780-3786
    • Zhang, Q.1    Wang, Y.2    Seh, Z.W.3    Fu, Z.4    Zhang, R.5    Cui, Y.6
  • 18
    • 84923815016 scopus 로고    scopus 로고
    • Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage
    • 1246501-1246501
    • [18] Bonaccorso, F., Colombo, L., Yu, G., Stoller, M., Tozzini, V., Ferrari, a. C., et al. Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage. Science (80-.), 347, 2015, 10.1126/science.1246501 1246501-1246501.
    • (2015) Science (80-.) , vol.347
    • Bonaccorso, F.1    Colombo, L.2    Yu, G.3    Stoller, M.4    Tozzini, V.5    Ferrari, A.C.6
  • 19
    • 49649105634 scopus 로고    scopus 로고
    • Nanomaterials for rechargeable lithium batteries
    • [19] Bruce, P.G., Scrosati, B., Tarascon, J.-M., Nanomaterials for rechargeable lithium batteries. Angew. Chem. Int. Ed. Engl. 47 (2008), 2930–2946, 10.1002/anie.200702505.
    • (2008) Angew. Chem. Int. Ed. Engl. , vol.47 , pp. 2930-2946
    • Bruce, P.G.1    Scrosati, B.2    Tarascon, J.-M.3
  • 20
    • 84877277860 scopus 로고    scopus 로고
    • Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage
    • [20] Tritsaris, G.A., Kaxiras, E., Meng, S., Wang, E., Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage. Nano Lett. 13 (2013), 2258–2263, 10.1021/nl400830u.
    • (2013) Nano Lett. , vol.13 , pp. 2258-2263
    • Tritsaris, G.A.1    Kaxiras, E.2    Meng, S.3    Wang, E.4
  • 21
    • 33845622840 scopus 로고    scopus 로고
    • Nano- and bulk-silicon-based insertion anodes for lithium-ion secondary cells
    • [21] Kasavajjula, U., Wang, C., Appleby, A.J., Nano- and bulk-silicon-based insertion anodes for lithium-ion secondary cells. J. Power Sources 163 (2007), 1003–1039, 10.1016/j.jpowsour.2006.09.084.
    • (2007) J. Power Sources , vol.163 , pp. 1003-1039
    • Kasavajjula, U.1    Wang, C.2    Appleby, A.J.3
  • 22
    • 79958028636 scopus 로고    scopus 로고
    • Prospective materials and applications for Li secondary batteries
    • [22] Jeong, G., Kim, Y.-U., Kim, H., Kim, Y.-J., Sohn, H.-J., Prospective materials and applications for Li secondary batteries. Energy Environ. Sci., 4, 2011, 1986, 10.1039/c0ee00831a.
    • (2011) Energy Environ. Sci. , vol.4 , pp. 1986
    • Jeong, G.1    Kim, Y.-U.2    Kim, H.3    Kim, Y.-J.4    Sohn, H.-J.5
  • 23
    • 72849145531 scopus 로고    scopus 로고
    • Silicon nanotube battery anodes
    • [23] Park, M.H., Kim, M.G., Joo, J., Kim, K., Kim, J., Ahn, S., et al. Silicon nanotube battery anodes. Nano Lett. 9 (2009), 3844–3847, 10.1021/nl902058c.
    • (2009) Nano Lett. , vol.9 , pp. 3844-3847
    • Park, M.H.1    Kim, M.G.2    Joo, J.3    Kim, K.4    Kim, J.5    Ahn, S.6
  • 24
    • 77949466983 scopus 로고    scopus 로고
    • Controlling diffusion of lithium in silicon nanostructures
    • [24] Chan, T.L., Chelikowsky, J.R., Controlling diffusion of lithium in silicon nanostructures. Nano Lett. 10 (2010), 821–825, 10.1021/nl903183n.
    • (2010) Nano Lett. , vol.10 , pp. 821-825
    • Chan, T.L.1    Chelikowsky, J.R.2
  • 25
    • 84954420983 scopus 로고    scopus 로고
    • A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries
    • [25] Rahaman, O., Mortazavi, B., Rabczuk, T., A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries. J. Power Sources. 307 (2016), 657–664, 10.1016/j.jpowsour.2016.01.003.
    • (2016) J. Power Sources. , vol.307 , pp. 657-664
    • Rahaman, O.1    Mortazavi, B.2    Rabczuk, T.3
  • 26
    • 45749121904 scopus 로고    scopus 로고
    • A study on the uniaxial tension of FCC metals at nano level using MD
    • doi: 10.4028/0-87849-475-8.255.
    • [26] B., Mortazavi, A.A., Khatibi, A study on the uniaxial tension of FCC metals at nano level using MD, (2008). doi: 10.4028/0-87849-475-8.255.
    • (2008)
    • Mortazavi, B.1    Khatibi, A.A.2
  • 27
    • 84959352717 scopus 로고    scopus 로고
    • Crystal structure predictions of NaxC6O6 for sodium-ion batteries: First-principles calculations with an evolutionary algorithm
    • [27] Yamashita, T., Momida, H., Oguchi, T., Crystal structure predictions of NaxC6O6 for sodium-ion batteries: First-principles calculations with an evolutionary algorithm. Electrochim. Acta. 195 (2016), 1–8, 10.1016/j.electacta.2016.02.056.
    • (2016) Electrochim. Acta. , vol.195 , pp. 1-8
    • Yamashita, T.1    Momida, H.2    Oguchi, T.3
  • 28
    • 84973091568 scopus 로고    scopus 로고
    • Modeling reaction pathways for hydrogen evolution and water dissociation on magnesium
    • [28] Williams, K.S., Rodriguez-Santiago, V., Andzelm, J.W., Modeling reaction pathways for hydrogen evolution and water dissociation on magnesium. Electrochim. Acta., 2016, 10.1016/j.electacta.2016.04.128.
    • (2016) Electrochim. Acta.
    • Williams, K.S.1    Rodriguez-Santiago, V.2    Andzelm, J.W.3
  • 29
    • 84939857075 scopus 로고    scopus 로고
    • Modelling heat conduction in polycrystalline hexagonal boron-nitride films
    • [29] Mortazavi, B., Pereira, L.F.C., Jiang, J.-W., Rabczuk, T., Modelling heat conduction in polycrystalline hexagonal boron-nitride films. Sci. Rep., 5, 2015, 13228, 10.1038/srep13228.
    • (2015) Sci. Rep. , vol.5 , pp. 13228
    • Mortazavi, B.1    Pereira, L.F.C.2    Jiang, J.-W.3    Rabczuk, T.4
  • 30
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • [30] Kresse, G., Furthm??ller, J., Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6 (1996), 15–50, 10.1016/0927-0256(96)00008-0.
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthm??ller, J.2
  • 31
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • [31] Kresse, G., Furthmüller, J., Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B. 54 (1996), 11169–11186, 10.1103/PhysRevB.54.11169.
    • (1996) Phys. Rev. B. , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 32
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • [32] Perdew, J., Burke, K., Ernzerhof, M., Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77 (1996), 3865–3868, 10.1103/PhysRevLett.77.3865.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.1    Burke, K.2    Ernzerhof, M.3
  • 33
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • [33] Kresse, G., From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B. 59 (1999), 1758–1775, 10.1103/PhysRevB.59.1758.
    • (1999) Phys. Rev. B. , vol.59 , pp. 1758-1775
    • Kresse, G.1
  • 34
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • [34] Grimme, S., Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27 (2006), 1787–1799, 10.1002/jcc.20495.
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 35
    • 78049495810 scopus 로고    scopus 로고
    • Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
    • [35] Bučko, T., Hafner, J., Lebègue, S., Ángyán, J.G., Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections. J. Phys. Chem. A. 114 (2010), 11814–11824, 10.1021/jp106469x.
    • (2010) J. Phys. Chem. A. , vol.114 , pp. 11814-11824
    • Bučko, T.1    Hafner, J.2    Lebègue, S.3    Ángyán, J.G.4
  • 36
    • 84890836480 scopus 로고    scopus 로고
    • Van der Waals density functional study of the energetics of alkali metal intercalation in graphite
    • [36] Wang, Z., Selbach, S.M., Grande, T., Van der Waals density functional study of the energetics of alkali metal intercalation in graphite. RSC Adv. 4 (2014), 4069–4079, 10.1039/c3ra47187j.
    • (2014) RSC Adv. , vol.4 , pp. 4069-4079
    • Wang, Z.1    Selbach, S.M.2    Grande, T.3
  • 37
    • 65449183764 scopus 로고    scopus 로고
    • A grid-based Bader analysis algorithm without lattice bias
    • [37] Tang, W., Sanville, E., Henkelman, G., A grid-based Bader analysis algorithm without lattice bias. J. Phys. Condens. Matter., 21, 2009, 084204, 10.1088/0953-8984/21/8/084204.
    • (2009) J. Phys. Condens. Matter. , vol.21 , pp. 084204
    • Tang, W.1    Sanville, E.2    Henkelman, G.3
  • 38
    • 0034513054 scopus 로고    scopus 로고
    • Climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • [38] Henkelman, G., Uberuaga, B.P., J??nsson, H., Climbing image nudged elastic band method for finding saddle points and minimum energy paths. J. Chem. Phys. 113 (2000), 9901–9904, 10.1063/1.1329672.
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    J??nsson, H.3
  • 39
    • 12344328934 scopus 로고
    • Special points in the brillouin zone
    • [39] Chadi, D.J., Cohen, M.L., Special points in the brillouin zone. Phys. Rev. B. 8 (1973), 5747–5753, 10.1103/PhysRevB.8.5747.
    • (1973) Phys. Rev. B. , vol.8 , pp. 5747-5753
    • Chadi, D.J.1    Cohen, M.L.2
  • 41
    • 67249122406 scopus 로고    scopus 로고
    • Two- and one-dimensional honeycomb structures of silicon and germanium
    • [41] Cahangirov, S., Topsakal, M., Akt??rk, E., ??ahin, H., Ciraci, S., Two- and one-dimensional honeycomb structures of silicon and germanium. Phys. Rev. Lett., 102, 2009, 10.1103/PhysRevLett.102.236804.
    • (2009) Phys. Rev. Lett. , vol.102
    • Cahangirov, S.1    Topsakal, M.2    Akt??rk, E.3    ??ahin, H.4    Ciraci, S.5
  • 42
    • 84957570332 scopus 로고    scopus 로고
    • Electronic and thermal properties of germanene and stanene by first-principles calculations
    • [42] Jomehpour Zaveh, S., Roknabadi, M.R., Morshedloo, T., Modarresi, M., Electronic and thermal properties of germanene and stanene by first-principles calculations. Superlattices Microstruct. 91 (2016), 383–390, 10.1016/j.spmi.2016.01.033.
    • (2016) Superlattices Microstruct. , vol.91 , pp. 383-390
    • Jomehpour Zaveh, S.1    Roknabadi, M.R.2    Morshedloo, T.3    Modarresi, M.4
  • 43
    • 84868149465 scopus 로고    scopus 로고
    • Stability of lithiated silicene from first principles
    • [43] Osborn, T.H., Farajian, A.A., Stability of lithiated silicene from first principles. J. Phys. Chem. C. 116 (2012), 22916–22920, 10.1021/jp306889x.
    • (2012) J. Phys. Chem. C. , vol.116 , pp. 22916-22920
    • Osborn, T.H.1    Farajian, A.A.2
  • 44
    • 84865688513 scopus 로고    scopus 로고
    • Much stronger binding of metal adatoms to silicene than to graphene: A first-principles study
    • [44] Lin, X., Ni, J., Much stronger binding of metal adatoms to silicene than to graphene: A first-principles study. Phys. Rev. B, 86, 2012, 75440 http://link.aps.org/doi/10.1103/PhysRevB.86.075440.
    • (2012) Phys. Rev. B , vol.86 , pp. 75440
    • Lin, X.1    Ni, J.2
  • 45
    • 84890844079 scopus 로고    scopus 로고
    • Mechanical and Electronic Properties of pristine and Ni-doped Si, Ge, and Sn sheets
    • [45] Manjanath, A., Kumar, V., Singh, A.K., Mechanical and Electronic Properties of pristine and Ni-doped Si, Ge, and Sn sheets. Phys. Chem. Chem. Phys 16 (2014), 1667–1671, 10.1039/c3cp54655a.
    • (2014) Phys. Chem. Chem. Phys , vol.16 , pp. 1667-1671
    • Manjanath, A.1    Kumar, V.2    Singh, A.K.3
  • 46
    • 84922953665 scopus 로고    scopus 로고
    • Elemental analogues of graphene: Silicene, germanene, stanene, and phosphorene
    • [46] Balendhran, S., Walia, S., Nili, H., Sriram, S., Bhaskaran, M., Elemental analogues of graphene: Silicene, germanene, stanene, and phosphorene. Small. 11 (2015), 640–652, 10.1002/smll.201402041.
    • (2015) Small. , vol.11 , pp. 640-652
    • Balendhran, S.1    Walia, S.2    Nili, H.3    Sriram, S.4    Bhaskaran, M.5


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