메뉴 건너뛰기




Volumn 1, Issue 4, 2015, Pages 325-332

Candidate structures for inorganic lithium solid-state electrolytes identified by high-throughput bond-valence calculations

Author keywords

All solid state lithium battery; Bond valence; Density functional theory; High throughput calculation; Solid state electrolyte

Indexed keywords


EID: 85011353148     PISSN: 23528478     EISSN: 23528486     Source Type: Journal    
DOI: 10.1016/j.jmat.2015.08.001     Document Type: Article
Times cited : (73)

References (55)
  • 1
    • 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 414 (2001), 359–367.
    • (2001) Nature , vol.414 , pp. 359-367
    • Tarascon, J.M.1    Armand, M.2
  • 3
    • 81555207951 scopus 로고    scopus 로고
    • Electrical energy storage for the grid: a battery of choices
    • Dunn, B., Kamath, H., Tarascon, J.M., Electrical energy storage for the grid: a battery of choices. Science 334 (2011), 928–935.
    • (2011) Science , vol.334 , pp. 928-935
    • Dunn, B.1    Kamath, H.2    Tarascon, J.M.3
  • 4
    • 84872706273 scopus 로고    scopus 로고
    • Progress and prospective of solid-state lithium batteries
    • Takada, K., Progress and prospective of solid-state lithium batteries. Acta Mater 6 (2013), 759–770.
    • (2013) Acta Mater , vol.6 , pp. 759-770
    • Takada, K.1
  • 5
    • 7644227934 scopus 로고    scopus 로고
    • Nonaqueous liquid electrolytes for lithium-based rechargeable batteries
    • Xu, K., Nonaqueous liquid electrolytes for lithium-based rechargeable batteries. Chem Rev 104 (2004), 4303–4417.
    • (2004) Chem Rev , vol.104 , pp. 4303-4417
    • Xu, K.1
  • 6
    • 84904401842 scopus 로고    scopus 로고
    • Screening possible solid electrolytes by calculating the conduction pathways using bond valence method
    • Gao, J., Chu, G., He, M., Zhang, S., Xiao, R.J., Li, H., et al. Screening possible solid electrolytes by calculating the conduction pathways using bond valence method. Sci China-Phys Mech Astron 57 (2014), 1526–1535.
    • (2014) Sci China-Phys Mech Astron , vol.57 , pp. 1526-1535
    • Gao, J.1    Chu, G.2    He, M.3    Zhang, S.4    Xiao, R.J.5    Li, H.6
  • 8
    • 0033752598 scopus 로고    scopus 로고
    • Synthesis of a new lithium ionic conductor, thio-LISICON–lithium germanium sulfide system
    • Kanno, R., Hata, T., Kawamoto, Y., Irie, M., Synthesis of a new lithium ionic conductor, thio-LISICON–lithium germanium sulfide system. Solid State Ion 130 (2000), 97–104.
    • (2000) Solid State Ion , vol.130 , pp. 97-104
    • Kanno, R.1    Hata, T.2    Kawamoto, Y.3    Irie, M.4
  • 9
    • 0001140191 scopus 로고
    • 3 (L = Li,Na M,N = Ge,Sn,Ti,Zr,Hf) synthèse et étude par diffraction x et conductivité ionique
    • 3 (L = Li,Na M,N = Ge,Sn,Ti,Zr,Hf) synthèse et étude par diffraction x et conductivité ionique. J Solid State Chem 93 (1991), 341–349.
    • (1991) J Solid State Chem , vol.93 , pp. 341-349
    • Winand, J.-M.1    Rulmont, A.2    Tarte, P.3
  • 12
    • 0020900053 scopus 로고
    • Thin film solid electrolyte and its application to secondary lithium cell
    • Kanehori, K., Matsumoto, K., Miyauchi, K., Kudo, T., Thin film solid electrolyte and its application to secondary lithium cell. Solid State Ion 9 (1983), 1445–1448.
    • (1983) Solid State Ion , vol.9 , pp. 1445-1448
    • Kanehori, K.1    Matsumoto, K.2    Miyauchi, K.3    Kudo, T.4
  • 14
    • 0018467572 scopus 로고    scopus 로고
    • A model for the fast ionic diffusion in alumina-doped LiI
    • Stoneham, A.M., Wade, E., Kilner, J.A., A model for the fast ionic diffusion in alumina-doped LiI. Mater Res Bull 14 (2012), 661–666.
    • (2012) Mater Res Bull , vol.14 , pp. 661-666
    • Stoneham, A.M.1    Wade, E.2    Kilner, J.A.3
  • 17
    • 33749473337 scopus 로고    scopus 로고
    • Toward computational materials design: the impact of density functional theory on materials research
    • Hafner, J., Wolverton, C., Ceder, G., Toward computational materials design: the impact of density functional theory on materials research. MRS Bull 31 (2006), 659–668.
    • (2006) MRS Bull , vol.31 , pp. 659-668
    • Hafner, J.1    Wolverton, C.2    Ceder, G.3
  • 18
    • 66849135136 scopus 로고    scopus 로고
    • First principles computational materials design for energy storage materials in lithium ion batteries
    • Meng, Y.S., Arroyo-de Dompablo, M.E., First principles computational materials design for energy storage materials in lithium ion batteries. Energy Environ Sci 2 (2009), 589–609.
    • (2009) Energy Environ Sci , vol.2 , pp. 589-609
    • Meng, Y.S.1    Arroyo-de Dompablo, M.E.2
  • 19
    • 84891831709 scopus 로고    scopus 로고
    • Physics towards next generation Li secondary batteries materials: a short review from computational materials design perspective
    • Ouyang, C.Y., Chen, L.Q., Physics towards next generation Li secondary batteries materials: a short review from computational materials design perspective. Sci China-Phys Mech Astron 56 (2013), 2278–2292.
    • (2013) Sci China-Phys Mech Astron , vol.56 , pp. 2278-2292
    • Ouyang, C.Y.1    Chen, L.Q.2
  • 20
    • 84866494255 scopus 로고    scopus 로고
    • Direct calculation of Li-ion transport in the solid electrolyte interphase
    • Shi, S.Q., Lu, P., Liu, Z.Y., Qi, Y., Hector, L.G. Jr., Li, H., et al. Direct calculation of Li-ion transport in the solid electrolyte interphase. J Am Chem Soc 134 (2012), 15476–15487.
    • (2012) J Am Chem Soc , vol.134 , pp. 15476-15487
    • Shi, S.Q.1    Lu, P.2    Liu, Z.Y.3    Qi, Y.4    Hector, L.G.5    Li, H.6
  • 21
    • 84882266612 scopus 로고    scopus 로고
    • Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms
    • Fujimura, K., Seko, A., Koyama, Y., Kuwabara, A., Kishida, I., Shitara, K., et al. Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms. Adv Energy Mater 3 (2013), 980–985.
    • (2013) Adv Energy Mater , vol.3 , pp. 980-985
    • Fujimura, K.1    Seko, A.2    Koyama, Y.3    Kuwabara, A.4    Kishida, I.5    Shitara, K.6
  • 22
    • 80051680335 scopus 로고    scopus 로고
    • High power lithium ion battery materials by computational design
    • Adams, S., Rao, R.P., High power lithium ion battery materials by computational design. Phys Status Solidi A 208 (2011), 1746–1753.
    • (2011) Phys Status Solidi A , vol.208 , pp. 1746-1753
    • Adams, S.1    Rao, R.P.2
  • 23
    • 84942134760 scopus 로고    scopus 로고
    • High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory
    • Xiao, R.J., Li, H., Chen, L.Q., High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory. Sci Rep, 2015, 10.1038/srep14227.
    • (2015) Sci Rep
    • Xiao, R.J.1    Li, H.2    Chen, L.Q.3
  • 25
    • 0001711660 scopus 로고    scopus 로고
    • Relationship between bond valence and bond softness of alkali halides and chalcogenides
    • Adams, S., Relationship between bond valence and bond softness of alkali halides and chalcogenides. Acta Cryst B57 (2001), 278–287.
    • (2001) Acta Cryst , vol.B57 , pp. 278-287
    • Adams, S.1
  • 26
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G., Furthmüller, 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.
    • (1996) Comput Mater Sci , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 27
    • 4944232881 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple. Phys Rev Lett, 78, 1997, 1396.
    • (1997) Phys Rev Lett , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 28
    • 77955414243 scopus 로고    scopus 로고
    • High-throughput electronic band structure calculations: challenges and tools
    • Setyawan, W., Curtarolo, S., High-throughput electronic band structure calculations: challenges and tools. Comput Mater Sci 49 (2010), 299–312.
    • (2010) Comput Mater Sci , vol.49 , pp. 299-312
    • Setyawan, W.1    Curtarolo, S.2
  • 33
    • 0031192225 scopus 로고    scopus 로고
    • 5 glass-ceramics
    • 5 glass-ceramics. J Am Ceram Soc 80 (1997), 1901–1903.
    • (1997) J Am Ceram Soc , vol.80 , pp. 1901-1903
    • Fu, J.1
  • 35
    • 24944459757 scopus 로고    scopus 로고
    • LiBOB: is it an alternative salt for lithium ion chemistry
    • Xu, K., Zhang, S.S., Lee, U., Allen, J.L., Jow, T.R., LiBOB: is it an alternative salt for lithium ion chemistry. J Power Sources 146 (2005), 79–85.
    • (2005) J Power Sources , vol.146 , pp. 79-85
    • Xu, K.1    Zhang, S.S.2    Lee, U.3    Allen, J.L.4    Jow, T.R.5
  • 36
    • 0030129336 scopus 로고    scopus 로고
    • 7Li NMR spin-lattice relaxation and a multiple-barrier model for percolation
    • 7Li NMR spin-lattice relaxation and a multiple-barrier model for percolation. J Non-Cryst Solids 197 (1996), 53–64.
    • (1996) J Non-Cryst Solids , vol.197 , pp. 53-64
    • Sen, S.1    George, A.M.2    Stebbins, J.F.3
  • 37
    • 27844457042 scopus 로고    scopus 로고
    • A computer modelling study of ionic conductivity in some lithium silicates and aluminosilicates
    • Kennedy, K.M., Morrison, G., Chadwick, A.V., A computer modelling study of ionic conductivity in some lithium silicates and aluminosilicates. An Quimica Int Ed 94 (1998), 27–30.
    • (1998) An Quimica Int Ed , vol.94 , pp. 27-30
    • Kennedy, K.M.1    Morrison, G.2    Chadwick, A.V.3
  • 38
    • 0034291323 scopus 로고    scopus 로고
    • Ionic conductor composites: theory and materials
    • Knauth, P., Ionic conductor composites: theory and materials. J Electroceram 5 (2000), 111–125.
    • (2000) J Electroceram , vol.5 , pp. 111-125
    • Knauth, P.1
  • 40
    • 0018454379 scopus 로고
    • 4 in moist air environments: potential humidity sensors
    • 4 in moist air environments: potential humidity sensors. Mater Res Bull 14 (1979), 537–542.
    • (1979) Mater Res Bull , vol.14 , pp. 537-542
    • Johnson, R.T.1    Biefeld, R.M.2
  • 45
    • 84877014472 scopus 로고    scopus 로고
    • 3 and implications for the solid electrolyte interphase in Li-ion batteries
    • 3 and implications for the solid electrolyte interphase in Li-ion batteries. J Phys Chem C 117:17 (2013), 8579–8593.
    • (2013) J Phys Chem C , vol.117 , Issue.17 , pp. 8579-8593
    • Shi, S.Q.1    Qi, Y.2    Li, H.3    Hector, L.G.4
  • 46
    • 0025182965 scopus 로고
    • Cumulative anomeric effect: a theoretical and x-ray diffraction study of orthocarbonates
    • Narasimhamurthy, N., Manohar, H., Samuelson, A.G., Chandrasekhar, J., Cumulative anomeric effect: a theoretical and x-ray diffraction study of orthocarbonates. J Am Chem Soc 112 (1990), 2937–2941.
    • (1990) J Am Chem Soc , vol.112 , pp. 2937-2941
    • Narasimhamurthy, N.1    Manohar, H.2    Samuelson, A.G.3    Chandrasekhar, J.4
  • 47
    • 34548740809 scopus 로고    scopus 로고
    • Possible existence of alkali metal orthocarbonates at high pressure
    • Čančarević, Ž.P., Schön, J.C., Jansen, M., Possible existence of alkali metal orthocarbonates at high pressure. Chem A Eur J 13 (2007), 7330–7348.
    • (2007) Chem A Eur J , vol.13 , pp. 7330-7348
    • Čančarević, P.1    Schön, J.C.2    Jansen, M.3
  • 49
    • 84872843579 scopus 로고    scopus 로고
    • 4 ceramic electrolyte synthesized via citrate sol gel method
    • 4 ceramic electrolyte synthesized via citrate sol gel method. Int J Electrochem Sci 7 (2012), 9844–9858.
    • (2012) Int J Electrochem Sci , vol.7 , pp. 9844-9858
    • Adnan, S.B.R.S.1    Nohamed, N.S.2
  • 50
    • 84871555100 scopus 로고    scopus 로고
    • 4 driven by the Fe center mediated interlayer Li-Li interactions
    • 4 driven by the Fe center mediated interlayer Li-Li interactions. Chem Mater 24 (2012), 4693–4703.
    • (2012) Chem Mater , vol.24 , pp. 4693-4703
    • Sun, Y.1    Lu, X.2    Xiao, R.J.3    Li, H.4    Huang, X.J.5
  • 52
    • 21244451609 scopus 로고    scopus 로고
    • Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteries
    • Thackeray, M.M., Johnson, C.S., Vaughey, J.T., Li, N., Hackney, S.A., Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteries. J Mater Chem 15 (2005), 2257–2267.
    • (2005) J Mater Chem , vol.15 , pp. 2257-2267
    • Thackeray, M.M.1    Johnson, C.S.2    Vaughey, J.T.3    Li, N.4    Hackney, S.A.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.