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020 ▼a 9780438127272
035 ▼a (MiAaPQ)AAI10903123
035 ▼a (MiAaPQ)umichrackham:001116
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 248032
0820 ▼a 530
1001 ▼a Yang, Sheng.
24510 ▼a Computational Prediction of Transport Properties in Battery Materials.
260 ▼a [S.l.] : ▼b University of Michigan., ▼c 2017
260 1 ▼a Ann Arbor : ▼b ProQuest Dissertations & Theses, ▼c 2017
300 ▼a 128 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
500 ▼a Advisers: Rachel S. Goldman
5021 ▼a Thesis (Ph.D.)--University of Michigan, 2017.
520 ▼a Electric 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
520 ▼a The 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
520 ▼a Ionic 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
520 ▼a Electronic 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,
520 ▼a A 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
590 ▼a School code: 0127.
650 4 ▼a Statistical physics.
690 ▼a 0217
71020 ▼a University of Michigan. ▼b Physics.
7730 ▼t Dissertation Abstracts International ▼g 79-12B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0127
791 ▼a Ph.D.
792 ▼a 2017
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T15000613 ▼n KERIS
980 ▼a 201812 ▼f 2019
990 ▼a 관리자