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Electronic Structure and Lithium Diffusion in LiAl2(OH)6Cl Studied by First Principle Calculations

Yueping Zhang1, Xiyue Cheng1, Chen Wu1

  • 1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM) Chinese Academy of Sciences (CAS), Fuzhou 350002, China.

Molecules (Basel, Switzerland)
|July 26, 2019
PubMed

Keywords:
LiAl2(OH)6Clab initio molecular dynamics (AIMD) simulationslayered double hydroxidessuperionic conductor

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