@article{
 title = {Point defects in garnet-type solid electrolyte (c-Li7La3Zr2O12) for Li-ion batteries},
 type = {article},
 year = {2014},
 identifiers = {[object Object]},
 id = {a3ea863b-d46c-3c27-87a0-8c7a995b02e8},
 created = {2017-11-28T22:03:03.949Z},
 file_attached = {true},
 profile_id = {8f0aec6b-7dbf-3f3d-b9d4-f83592883b14},
 group_id = {ac61a7c8-feb3-3688-9b64-b4e5b1b32fd1},
 last_modified = {2017-11-28T22:03:04.153Z},
 read = {false},
 starred = {false},
 authored = {false},
 confirmed = {false},
 hidden = {false},
 private_publication = {false},
 abstract = {Using ab-initio density-functional theory (DFT) methods, the atomic structure and electronic properties of one of the most promising family of solid electrolytes for Li-ion battery applications, lanthanum oxides with a garnet-type structure (c-Li7La3Zr2O12) are studied. The Li-ion (Li+) defects including Li/Li+ vacancies, interstitials, and vacancy–interstitial pair defect formation energy within the Li7La3Zr2O12 supercell are systematically investigated. This study is essential to understand the defect chemistry and the Li+ conductivity mechanisms. Our results indicate that the Li+ vacancy defects are thermodynamically more favorable than interstitial Li+ defects. This work will therefore be helpful to elucidate the atomic level mechanisms of Li defect formation in order to improve the ionic conductivity for future Li-ion battery applications.},
 bibtype = {article},
 author = {KC, Santosh and Longo, Roberto C. and Xiong, Ka and Cho, Kyeongjae},
 journal = {Solid State Ionics}
}

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