Journal
MRS ADVANCES
Volume 1, Issue 15, Pages 1037-1042Publisher
CAMBRIDGE UNIV PRESS
DOI: 10.1557/adv.2016.48
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Funding
- National Science Foundation [DMR-1410850, 1410946]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1410946] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1410850] Funding Source: National Science Foundation
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During the activation and charge process, vacancies are generated in the Li2MnO3 component in lithium-rich layered cathode materials. The chemical expansion coefficient tensor associated with oxygen vacancies, lithium vacancies and a Li-O vacancy pair were calculated for Li2-xMnO3-delta. The chemical expansion coefficient was larger for oxygen vacancies than for lithium vacancies in most directions. Additionally, the chemical expansion coefficient for a Li-O vacancy pair was shown to not be a linear sum of the chemical expansion coefficients of the two vacancy types, suggesting that the oxygen vacancies and lithium vacancies in Li2-XMnO3-delta exhibit a coupling effect.
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