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DFT simulations of Li-ion conductor Li2(OH)Cl DFT simulations of Li-ion conductor Li2(OH)Cl

DFT simulations of Li-ion conductor Li2(OH)Cl - PowerPoint Presentation

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Uploaded On 2017-10-22

DFT simulations of Li-ion conductor Li2(OH)Cl - PPT Presentation

Jason Howard Natalie Holzwarth Acknowledgements Zach Hood WFU Deac HPC Cluster NSF grant DMR1507942 Outline Motivation Background of material Low temperature phase structure search ID: 598377

orthorhombic temperature lithium phase temperature orthorhombic phase lithium dft diffusion structure scaled 19ps lattice tetragonal parameters msd time cubic

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