Stability and conductivity of cation- and anion-substituted -based solid-state electrolytes
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1454898
- Grant/Contract Number:
- DEAC02-06CH11357; DEFG02-07ER46433; AC02-05CH11231
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 6; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Yao, Zhenpeng, Kim, Soo, Michel, Kyle, Zhang, Yongsheng, Aykol, Muratahan, and Wolverton, Chris. Stability and conductivity of cation- and anion-substituted LiBH 4 -based solid-state electrolytes. United States: N. p., 2018.
Web. doi:10.1103/PhysRevMaterials.2.065402.
Yao, Zhenpeng, Kim, Soo, Michel, Kyle, Zhang, Yongsheng, Aykol, Muratahan, & Wolverton, Chris. Stability and conductivity of cation- and anion-substituted LiBH 4 -based solid-state electrolytes. United States. https://doi.org/10.1103/PhysRevMaterials.2.065402
Yao, Zhenpeng, Kim, Soo, Michel, Kyle, Zhang, Yongsheng, Aykol, Muratahan, and Wolverton, Chris. Tue .
"Stability and conductivity of cation- and anion-substituted LiBH 4 -based solid-state electrolytes". United States. https://doi.org/10.1103/PhysRevMaterials.2.065402.
@article{osti_1454898,
title = {Stability and conductivity of cation- and anion-substituted LiBH 4 -based solid-state electrolytes},
author = {Yao, Zhenpeng and Kim, Soo and Michel, Kyle and Zhang, Yongsheng and Aykol, Muratahan and Wolverton, Chris},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.065402},
journal = {Physical Review Materials},
number = 6,
volume = 2,
place = {United States},
year = {2018},
month = {6}
}
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Works referenced in this record:
Structure and Dynamics for LiBH 4 −LiCl Solid Solutions
journal, December 2009
- Arnbjerg, Lene M.; Ravnsbæk, Dorthe B.; Filinchuk, Yaroslav
- Chemistry of Materials, Vol. 21, Issue 24
LiCe(BH 4 ) 3 Cl, a New Lithium-Ion Conductor and Hydrogen Storage Material with Isolated Tetranuclear Anionic Clusters
journal, April 2012
- Ley, Morten B.; Ravnsbæk, Dorthe B.; Filinchuk, Yaroslav
- Chemistry of Materials, Vol. 24, Issue 9
Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system
journal, April 2009
- Oguchi, H.; Matsuo, M.; Hummelshøj, J. S.
- Applied Physics Letters, Vol. 94, Issue 14
Challenges for Rechargeable Li Batteries
journal, February 2010
- Goodenough, John B.; Kim, Youngsik
- Chemistry of Materials, Vol. 22, Issue 3, p. 587-603
Nanoconfined LiBH 4 as a Fast Lithium Ion Conductor
journal, October 2014
- Blanchard, Didier; Nale, Angeloclaudio; Sveinbjörnsson, Dadi
- Advanced Functional Materials, Vol. 25, Issue 2
Dissolution of Spinel Oxides and Capacity Losses in 4V Li / LixMn2O4 Cells
journal, January 1996
- Jang, Dong H.; Shin, Young J.; Oh, Seung M.
- Journal of The Electrochemical Society, Vol. 143, Issue 7, p. 2204-2211
Lithium Fast-Ionic Conduction in Complex Hydrides: Review and Prospects
journal, January 2011
- Matsuo, Motoaki; Orimo, Shin-ichi
- Advanced Energy Materials, Vol. 1, Issue 2
LiBH4 a new hydrogen storage material
journal, May 2003
- Züttel, A.; Wenger, P.; Rentsch, S.
- Journal of Power Sources, Vol. 118, Issue 1-2
All-Solid-State Lithium-Sulfur Battery Based on a Nanoconfined LiBH 4 Electrolyte
journal, January 2016
- Das, Supti; Ngene, Peter; Norby, Poul
- Journal of The Electrochemical Society, Vol. 163, Issue 9
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Issues and challenges facing rechargeable lithium batteries
journal, November 2001
- Tarascon, J.-M.; Armand, M.
- Nature, Vol. 414, Issue 6861, p. 359-367
A high-performance anode material based on FeMnO3/graphene composite
journal, February 2017
- Bin, Heng; Yao, Zhenpeng; Zhu, Shenmin
- Journal of Alloys and Compounds, Vol. 695
Electronic structure of ternary hydrides based on light elements
journal, December 2005
- Orgaz, E.; Membrillo, A.; Castañeda, R.
- Journal of Alloys and Compounds, Vol. 404-406
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976
- Shannon, R. D.
- Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767
Bromide substitution in lithium borohydride, LiBH4–LiBr
journal, December 2011
- Rude, L. H.; Zavorotynska, O.; Arnbjerg, L. M.
- International Journal of Hydrogen Energy, Vol. 36, Issue 24
Lithium superionic conduction in lithium borohydride accompanied by structural transition
journal, November 2007
- Matsuo, Motoaki; Nakamori, Yuko; Orimo, Shin-ichi
- Applied Physics Letters, Vol. 91, Issue 22
Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet
journal, November 2017
- Amsler, Maximilian; Yao, Zhenpeng; Wolverton, Chris
- Chemistry of Materials, Vol. 29, Issue 22
Stabilization of lithium superionic conduction phase and enhancement of conductivity of LiBH4 by LiCl addition
journal, February 2009
- Matsuo, Motoaki; Takamura, Hitoshi; Maekawa, Hideki
- Applied Physics Letters, Vol. 94, Issue 8
Nuclear Magnetic Resonance Studies of BH 4 Reorientations and Li Diffusion in LiLa(BH 4 ) 3 Cl
journal, July 2013
- Skripov, Alexander V.; Soloninin, Alexei V.; Ley, Morten B.
- The Journal of Physical Chemistry C, Vol. 117, Issue 29
A lithium superionic conductor
journal, July 2011
- Kamaya, Noriaki; Homma, Kenji; Yamakawa, Yuichiro
- Nature Materials, Vol. 10, Issue 9, p. 682-686
van der Waals Interactions in Layered Lithium Cobalt Oxides
journal, August 2015
- Aykol, Muratahan; Kim, Soo; Wolverton, C.
- The Journal of Physical Chemistry C, Vol. 119, Issue 33
Fast Mass Transport Kinetics in B 20 H 16 : A High-Capacity Hydrogen Storage Material
journal, September 2013
- Michel, Kyle Jay; Zhang, Yongsheng; Wolverton, C.
- The Journal of Physical Chemistry C, Vol. 117, Issue 38
First-principles insight into the degeneracy of ground-state LiBH structures
journal, September 2012
- Zhang, Yongsheng; Wang, Yongli; Michel, Kyle
- Physical Review B, Vol. 86, Issue 9
First principles computational materials design for energy storage materials in lithium ion batteries
journal, January 2009
- Meng, Ying Shirley; Arroyo-de Dompablo, M. Elena
- Energy & Environmental Science, Vol. 2, Issue 6
Thermodynamic Aspects of Cathode Coatings for Lithium-Ion Batteries
journal, August 2014
- Aykol, Muratahan; Kirklin, Scott; Wolverton, C.
- Advanced Energy Materials, Vol. 4, Issue 17
Kinetically-Driven Phase Transformation during Lithiation in Copper Sulfide Nanoflakes
journal, August 2017
- He, Kai; Yao, Zhenpeng; Hwang, Sooyeon
- Nano Letters, Vol. 17, Issue 9
First-principles investigation of phase stability in
journal, August 1998
- Van der Ven, A.; Aydinol, M. K.; Ceder, G.
- Physical Review B, Vol. 58, Issue 6
Electrochemical energy storage in a sustainable modern society
journal, January 2014
- Goodenough, John B.
- Energy Environ. Sci., Vol. 7, Issue 1
Capacity Fade Mechanisms and Side Reactions in Lithium-Ion Batteries
journal, January 1998
- Arora, Pankaj; White, Ralph E.; Doyle, Marc
- Journal of The Electrochemical Society, Vol. 145, Issue 10, p. 3647-3667
Lithium mobility in titanium based Nasicon Li1+xTi2−xAlx(PO4)3 and LiTi2−x Zrx(PO4)3 materials followed by NMR and impedance spectroscopy
journal, January 2007
- Arbi, K.; Rojo, J. M.; Sanz, J.
- Journal of the European Ceramic Society, Vol. 27, Issue 13-15
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
Anharmonicity in LiBH4–LiI induced by anion exchange and temperature
journal, July 2010
- Borgschulte, A.; Gremaud, R.; Kato, S.
- Applied Physics Letters, Vol. 97, Issue 3
The A-C Conductivity of Polycrystalline LISICON, Li[sub 2+2x]Zn[sub 1−x]GeO[sub 4], and a Model for Intergranular Constriction Resistances
journal, January 1983
- Bruce, P. G.
- Journal of The Electrochemical Society, Vol. 130, Issue 3
Theoretical and Experimental Study of LiBH4-LiCl Solid Solution
journal, March 2012
- Zavorotynska, Olena; Corno, Marta; Pinatel, Eugenio
- Crystals, Vol. 2, Issue 1
Li-ion Conduction in the LiBH 4 :LiI System from Density Functional Theory Calculations and Quasi-Elastic Neutron Scattering
journal, March 2013
- Myrdal, Jon Steinar Gardarsson; Blanchard, Didier; Sveinbjörnsson, Dadi
- The Journal of Physical Chemistry C, Vol. 117, Issue 18
Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles
journal, October 2017
- Yao, Zhenpeng; Kim, Soo; Aykol, Muratahan
- Chemistry of Materials, Vol. 29, Issue 21
A review of conduction phenomena in Li-ion batteries
journal, December 2010
- Park, Myounggu; Zhang, Xiangchun; Chung, Myoungdo
- Journal of Power Sources, Vol. 195, Issue 24
Lithium nitride and related materials case study of the use of modern solid state research techniques☆
journal, July 1982
- Rabenau, A.
- Solid State Ionics, Vol. 6, Issue 4
New Li Ion Conductors and Solid State Hydrogen Storage Materials: LiM(BH 4 ) 3 Cl, M = La, Gd
journal, September 2012
- Ley, Morten B.; Boulineau, Sylvain; Janot, Raphaël
- The Journal of Physical Chemistry C, Vol. 116, Issue 40
Multistep Lithiation of Tin Sulfide: An Investigation Using in Situ Electron Microscopy
journal, March 2018
- Hwang, Sooyeon; Yao, Zhenpeng; Zhang, Lei
- ACS Nano, Vol. 12, Issue 4
Structural Stability of Complex Hydrides: Revisited
journal, September 2004
- Łodziana, Zbigniew; Vegge, Tejs
- Physical Review Letters, Vol. 93, Issue 14
A Lithium Amide-Borohydride Solid-State Electrolyte with Lithium-Ion Conductivities Comparable to Liquid Electrolytes
journal, June 2017
- Yan, Yigang; Kühnel, Ruben-Simon; Remhof, Arndt
- Advanced Energy Materials, Vol. 7, Issue 19
Hydrogen storage in calcium alanate: First-principles thermodynamics and crystal structures
journal, February 2007
- Wolverton, Christopher; Ozoliņš, Vidvuds
- Physical Review B, Vol. 75, Issue 6
Reactivity of LiBH 4 : In Situ Synchrotron Radiation Powder X-ray Diffraction Study
journal, January 2008
- Mosegaard, Lene; Møller, Bitten; Jørgensen, Jens-Erik
- The Journal of Physical Chemistry C, Vol. 112, Issue 4
Lithium-ion rechargeable batteries with LiCoO2 and carbon electrodes: the LiCoO2/C system
journal, August 1994
- Ozawa, K.
- Solid State Ionics, Vol. 69, Issue 3-4
Symmetry building Monte Carlo-based crystal structure prediction
journal, May 2014
- Michel, Kyle Jay; Wolverton, C.
- Computer Physics Communications, Vol. 185, Issue 5
Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism
journal, August 2016
- Li, Qianqian; Liu, Heguang; Yao, Zhenpeng
- ACS Nano, Vol. 10, Issue 9
Li Conductivity in Li[sub x]MPO[sub 4] (M = Mn, Fe, Co, Ni) Olivine Materials
journal, January 2004
- Morgan, D.; Van der Ven, A.; Ceder, G.
- Electrochemical and Solid-State Letters, Vol. 7, Issue 2
Iodide substitution in lithium borohydride, LiBH4–LiI
journal, August 2011
- Rude, Line H.; Groppo, Elena; Arnbjerg, Lene M.
- Journal of Alloys and Compounds, Vol. 509, Issue 33
Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries
journal, February 2006
- Kang, Kisuk; Shirley Meng, Ying; Breger, Julien
- Science, Vol. 311, Issue 5763, p. 977-980
Room temperature lithium fast-ion conduction and phase relationship of LiI stabilized LiBH4
journal, June 2011
- Miyazaki, R.; Karahashi, T.; Kumatani, N.
- Solid State Ionics, Vol. 192, Issue 1
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Identification of cathode materials for lithium batteries guided by first-principles calculations
journal, April 1998
- Ceder, G.; Chiang, Y. -M.; Sadoway, D. R.
- Nature, Vol. 392, Issue 6677
Surface phase diagram and stability of (001) and (111) spinel oxides
journal, September 2015
- Kim, Soo; Aykol, Muratahan; Wolverton, C.
- Physical Review B, Vol. 92, Issue 11
Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992
- Perdew, John P.; Wang, Yue
- Physical Review B, Vol. 45, Issue 23, p. 13244-13249
Mechanism for the decomposition of lithium borohydride
journal, April 2012
- Hoang, Khang; Van de Walle, Chris G.
- International Journal of Hydrogen Energy, Vol. 37, Issue 7
Nanoconfined LiBH 4 and Enhanced Mobility of Li + and BH 4 – Studied by Solid-State NMR
journal, October 2012
- Verkuijlen, Margriet H. W.; Ngene, Peter; de Kort, Daan W.
- The Journal of Physical Chemistry C, Vol. 116, Issue 42
Effect of Heat Treatment on the Lithium Ion Conduction of the LiBH 4 –LiI Solid Solution
journal, February 2013
- Sveinbjörnsson, Dadi; Myrdal, Jon Steinar Gardarsson; Blanchard, Didier
- The Journal of Physical Chemistry C, Vol. 117, Issue 7
Controlling the Intercalation Chemistry to Design High-Performance Dual-Salt Hybrid Rechargeable Batteries
journal, November 2014
- Cho, Jae-Hyun; Aykol, Muratahan; Kim, Soo
- Journal of the American Chemical Society, Vol. 136, Issue 46
Tuning the Decomposition Temperature in Complex Hydrides: Synthesis of a Mixed Alkali Metal Borohydride
journal, March 2008
- Nickels, E. Anne; Jones, Martin Owen; David, William I. F.
- Angewandte Chemie International Edition, Vol. 47, Issue 15
High ionic conductivity in lithium lanthanum titanate
journal, June 1993
- Inaguma, Yoshiyuki; Liquan, Chen; Itoh, Mitsuru
- Solid State Communications, Vol. 86, Issue 10, p. 689-693
Tailoring ceramics for specific applications: A case study of the development of all-solid-state lithium batteries
journal, January 2005
- Thangadurai, V.; Schwenzel, J.; Weppner, W.
- Ionics, Vol. 11, Issue 1-2
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000
- Henkelman, Graeme; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22
Complex hydrides as room-temperature solid electrolytes for rechargeable batteries
journal, March 2016
- de Jongh, P. E.; Blanchard, D.; Matsuo, M.
- Applied Physics A, Vol. 122, Issue 3
Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries
journal, January 2012
- Thackeray, Michael M.; Wolverton, Christopher; Isaacs, Eric D.
- Energy & Environmental Science, Vol. 5, Issue 7
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
journal, July 2009
- Hummelshøj, J. S.; Landis, D. D.; Voss, J.
- The Journal of Chemical Physics, Vol. 131, Issue 1
Phase stability, electrochemical stability and ionic conductivity of the Li 10±1 MP 2 X 12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors
journal, January 2013
- Ong, Shyue Ping; Mo, Yifei; Richards, William Davidson
- Energy Environ. Sci., Vol. 6, Issue 1
Halide-Stabilized LiBH 4 , a Room-Temperature Lithium Fast-Ion Conductor
journal, January 2009
- Maekawa, Hideki; Matsuo, Motoaki; Takamura, Hitoshi
- Journal of the American Chemical Society, Vol. 131, Issue 3
Suppressing Manganese Dissolution from Lithium Manganese Oxide Spinel Cathodes with Single-Layer Graphene
journal, June 2015
- Jaber-Ansari, Laila; Puntambekar, Kanan P.; Kim, Soo
- Advanced Energy Materials, Vol. 5, Issue 17
Li6PS5X: A Class of Crystalline Li-Rich Solids With an Unusually High Li+ Mobility
journal, January 2008
- Deiseroth, Hans-Jörg; Kong, Shiao-Tong; Eckert, Hellmut
- Angewandte Chemie International Edition, Vol. 47, Issue 4
Hydrogen storage properties of LiBH4
journal, August 2003
- Züttel, A.; Rentsch, S.; Fischer, P.
- Journal of Alloys and Compounds, Vol. 356-357
Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox
journal, December 2017
- Zhan, Chun; Yao, Zhenpeng; Lu, Jun
- Nature Energy, Vol. 2, Issue 12
Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction
journal, December 2015
- Bachman, John Christopher; Muy, Sokseiha; Grimaud, Alexis
- Chemical Reviews, Vol. 116, Issue 1
Interplay of cation and anion redox in Li 4 Mn 2 O 5 cathode material and prediction of improved Li 4 (Mn,M) 2 O 5 electrodes for Li-ion batteries
journal, May 2018
- Yao, Zhenpeng; Kim, Soo; He, Jiangang
- Science Advances, Vol. 4, Issue 5
Dynamic imaging of metastable reaction pathways in lithiated cobalt oxide electrodes
journal, February 2018
- Li, Qianqian; Wu, Jinsong; Yao, Zhenpeng
- Nano Energy, Vol. 44
First-principles free energy calculations of the structural phase transition in LiBH with I, Cl, Na, and K substitution
journal, December 2013
- Bernstein, N.; Johannes, M. D.; Hoang, Khang
- Physical Review B, Vol. 88, Issue 22