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Studying Effects of Applying Strain and Doping Atoms On Li-Ion Transport Properties For Li 3 Obr 0.5 Cl 0.5 Anti-Perovskite Solid Lithium-Ion Electrolytes: Implications from Dft as Well as Aimd Calculations

https://doi.org/10.2139/ssrn.4772415
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Computational Screening of Cathode Coatings for Solid-State Batteries
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Recent progress of perovskite-based electrolyte materials for solid oxide fuel cells and performance optimizing strategies for energy storage applications
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Silicon based lithium-ion battery anodes: A chronicle perspective review
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Rational Composition Optimization of the Lithium-Rich Li3OCl1–xBrx Anti-Perovskite Superionic Conductors
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Influence of Structural Distortion and Lattice Dynamics on Li-Ion Diffusion in Li3OCl1–xBrx Superionic Conductors
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Visualizing Chemomechanical Degradation of a Solid-State Battery Electrolyte
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Lithium Lanthanum Titanates: A Review
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Phase Stability and Transport Mechanisms in Antiperovskite Li3OCl and Li3OBr Superionic Conductors
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Superionic Conductivity in Lithium-Rich Anti-Perovskites
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A lithium superionic conductor
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Fundamentals of inorganic solid-state electrolytes for batteries
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Li-rich anti-perovskite Li 3 OCl films with enhanced ionic conductivity
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Defect chemistry and lithium transport in Li 3 OCl anti-perovskite superionic conductors
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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Influence of the exchange screening parameter on the performance of screened hybrid functionals
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A unified formulation of the constant temperature molecular dynamics methods
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Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte
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Ab initio molecular dynamics for liquid metals
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Projector augmented-wave method
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First-principles theory of ionic diffusion with nondilute carriers
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Ab initiostudy of the stabilities of and mechanism of superionic transport in lithium-rich antiperovskites
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Generalized Gradient Approximation Made Simple
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Solid Electrolyte Behavior of NaMgF 3 : Geophysical Implications
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