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Computational Prediction of Transport Properties in Battery Materials

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개인저자Yang, Sheng.
단체저자명University of Michigan. Physics.
서명/저자사항Computational Prediction of Transport Properties in Battery Materials.
발행사항[S.l.] : University of Michigan., 2017
발행사항Ann Arbor : ProQuest Dissertations & Theses, 2017
형태사항128 p.
소장본 주기School code: 0127.
ISBN9780438127272
일반주기 Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
Advisers: Rachel S. Goldman
요약Electric vehicles would benefit from batteries with higher energy densities, longer cycle lifetimes, and enhanced safety. State-of-art Li-ion batteries exhibit specific energy densities near 0.26 kW kg--1, limiting the range of electric vehicles
요약The first goal of this thesis is to predict the electronic and ionic transport properties in the discharge products of metal-oxygen batteries based on alkali-metal anodes (i.e., Li-O2, Na-O2, and K-O 2 batteries). Peroxides (Li2O2, Na2O 2) or su
요약Ionic conductivity in Na2O2 is mediated by negative sodium vacancies, while it is governed by positive oxygen dimer vacancies in lithium, sodium, and potassium superoxides. The predicted ionic conductivities of the superoxides range from 9x10--1
요약Electronic transport in the peroxides and superoxides is mediated by the hopping of polarons localized on O2 dimers. The predicted equilibrium electronic conductivity in LiO2, 9x10-12 S/cm, is 8 orders of magnitude larger than in Li2O2, Na 2O2,
요약A second goal of this dissertation is to assess the impact of transition metal (TM) impurities on the performance of Li7La3Zr 2O12 (LLZO) solid electrolytes. These impurities are formed by crossover from Li-ion cathodes during interface formatio
일반주제명Statistical physics.
언어영어
기본자료 저록Dissertation Abstracts International79-12B(E).
Dissertation Abstract International
대출바로가기http://www.riss.kr/pdu/ddodLink.do?id=T15000613

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