Candidate structures for inorganic lithium solid-state electrolytes identified by high-throughput bond-valence calculations
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Ruijuan Xiao | Liquan Chen | Hong Li | Ruijuan Xiao | Hong Li | Liquan Chen
[1] K. Kanehori,et al. Thin film solid electrolyte and its application to secondary lithium cell , 1983 .
[2] S. Sen,et al. Ionic conduction and mixed cation effect in silicate glasses and liquids : 23Na and 7Li NMR spin-lattice relaxation and a multiple-barrier model of percolation , 1996 .
[3] Kang Xu,et al. LiBOB: Is it an alternative salt for lithium ion chemistry? , 2005 .
[4] T. Minami,et al. Raman spectra of rapidly quenched glasses in the systems lithium borate-lithium silicate-lithium phosphate (Li3BO3-Li4SiO4-Li3PO4 and Li4B2O5-Li6Si2O7-Li4P2O7) , 1989 .
[5] Yuki Kato,et al. A lithium superionic conductor. , 2011, Nature materials.
[6] R. T. Johnson,et al. Ionic conductivity of Li5AlO4 and Li5GaO4 in moist air environments: Potential humidity sensors , 1979 .
[7] B. Dunn,et al. Electrical Energy Storage for the Grid: A Battery of Choices , 2011, Science.
[8] Hong Li,et al. High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory , 2015, Scientific Reports.
[9] J. C. Schön,et al. Possible existence of alkali metal orthocarbonates at high pressure. , 2006, Chemistry.
[10] Michel Ribes,et al. Sulfide glasses: Glass forming region, structure and ionic conduction of glasses in Na2SXS2 (XSi; Ge), Na2SP2S5 and Li2SGeS2 systems , 1980 .
[11] Kazunari Yoshizawa,et al. Lithium ion migration pathways in LiTi2(PO4)3 and related materials , 1999 .
[12] K. Fujimura,et al. Accelerated Materials Design of Lithium Superionic Conductors Based on First‐Principles Calculations and Machine Learning Algorithms , 2013 .
[13] Liquan Chen,et al. Physics towards next generation Li secondary batteries materials: A short review from computational materials design perspective , 2013 .
[14] A. Stoneham,et al. A model for the fast ionic diffusion in alumina-doped LiI , 1979 .
[15] Gerbrand Ceder,et al. Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research , 2006 .
[16] Yue Qi,et al. Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries , 2013 .
[17] P. Knauth. Ionic Conductor Composites: Theory and Materials , 2000 .
[18] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[19] W. Ching,et al. Electronic structure and optical properties of LiB sub 3 O sub 5 , 1990 .
[20] Ying Shirley Meng,et al. First principles computational materials design for energy storage materials in lithium ion batteries , 2009 .
[21] Marco Buongiorno Nardelli,et al. The high-throughput highway to computational materials design. , 2013, Nature materials.
[22] V. I. Simonov,et al. Atomic structure and one-dimensional ionic conductivity of lithium triborate LiB3O5 , 1991 .
[23] Kazunori Takada,et al. Progress and prospective of solid-state lithium batteries , 2013 .
[24] Zhaoyang Sun,et al. The nonlinear optical characteristics of a LiB3O5 crystal , 1990 .
[25] R. Kanno,et al. Synthesis of a new lithium ionic conductor, thio-LISICON–lithium germanium sulfide system , 2000 .
[26] S. Adams. Relationship between bond valence and bond softness of alkali halides and chalcogenides. , 2001, Acta crystallographica. Section B, Structural science.
[27] R. Guo,et al. Pyroelectric, dielectric, and piezoelectric properties of LiB3O5 , 1995 .
[28] Jie Fu. Fast Li+ Ion Conduction in Li2O‐Al2O3‐TiO2‐SiO2‐P2O2 Glass‐Ceramics , 2005 .
[29] N. Holzwarth,et al. Li Ion Diffusion Mechanisms in the Crystalline Electrolyte γ-Li3PO4 , 2007 .
[30] Venkataraman Thangadurai,et al. Novel Fast Lithium Ion Conduction in Garnet‐Type Li5La3M2O12 (M = Nb, Ta) , 2003 .
[31] J. Winand,et al. Nouvelles solutions solides LI(MIV)2−x(NIV)x(PO4)3 (L = Li,Na M,N = Ge,Sn,Ti,Zr,Hf) synthèse et étude par diffraction x et conductivité ionique , 1991 .
[32] Stefan Adams,et al. High power lithium ion battery materials by computational design , 2011 .
[33] John T. Vaughey,et al. Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteries , 2005 .
[34] H. Pfeiffer,et al. Thermochemical capture of carbon dioxide on lithium aluminates (LiAlO2 and Li5AlO4): a new option for the CO2 absorption. , 2009, The journal of physical chemistry. A.
[35] Peng Lu,et al. Direct calculation of Li-ion transport in the solid electrolyte interphase. , 2012, Journal of the American Chemical Society.
[36] A. Rabenau,et al. Ionic conductivity in Li3N single crystals , 1977 .
[37] Liquan Chen,et al. Screening possible solid electrolytes by calculating the conduction pathways using Bond Valence method , 2014 .
[38] K. Burke,et al. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] , 1997 .
[39] J. Chandrasekhar,et al. Cumulative anomeric effect: a theoretical and x-ray diffraction study of orthocarbonates , 1990 .
[40] Eckhard Karden,et al. Energy storage devices for future hybrid electric vehicles , 2007 .
[41] Liquan Chen,et al. Density Functional Investigation on Li2MnO3 , 2012 .
[42] M. Ratner,et al. Transport in glassy fast-ion conductors: A stud of LiAlSiO4 glass , 1988 .
[43] H. Munakata,et al. All-solid-state lithium battery with a three-dimensionally ordered Li1.5Al0.5Ti1.5(PO4)3 electrode , 2010 .
[44] Stefano Curtarolo,et al. High-throughput electronic band structure calculations: Challenges and tools , 2010, 1004.2974.
[45] T. Esaka,et al. Lithium ion conduction in substituted Li5GaO4 phases , 1986 .
[46] M. Armand,et al. Issues and challenges facing rechargeable lithium batteries , 2001, Nature.
[47] M. Maurin,et al. Etude cristallochimique compare´e et conductivite´ionique des deux varie´te´s Li2Te2O5 α et β , 1981 .
[48] T. Esaka,et al. Lithium ion conduction in substituted Li5MO4, M = Al, Fe , 1987 .
[49] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[50] Xia Lu,et al. Kinetically Controlled Lithium-Staging in Delithiated LiFePO4 Driven by the Fe Center Mediated Interlayer Li–Li Interactions , 2012 .
[51] Kang Xu,et al. Nonaqueous liquid electrolytes for lithium-based rechargeable batteries. , 2004, Chemical reviews.
[52] Masayuki Nogami,et al. Multivariate Method-Assisted Ab Initio Study of Olivine-Type LiMXO4 (Main Group M2+–X5+ and M3+–X4+) Compositions as Potential Solid Electrolytes , 2012 .