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Defect Engineering of Ceramic Oxide ...

Barr, Jordan Alysia,

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Defect Engineering of Ceramic Oxide Materials /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Defect Engineering of Ceramic Oxide Materials // Jordan Alysia Barr.
作者:	Barr, Jordan Alysia,
面頁冊數:	1 electronic resource (117 pages)
附註:	Source: Dissertations Abstracts International, Volume: 86-09, Section: B.
Contained By:	Dissertations Abstracts International86-09B.
標題:	Materials science. -
電子資源:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31632242
ISBN:	9798310136328

Defect Engineering of Ceramic Oxide Materials /
Barr, Jordan Alysia,

Defect Engineering of Ceramic Oxide Materials /Jordan Alysia Barr. - 1 electronic resource (117 pages)

Source: Dissertations Abstracts International, Volume: 86-09, Section: B.

To gain an atomic scale understanding of defects in materials, density functional theory has become a widely used tool. Density functional theory allows to assess the thermodynamically accessible defects and their impacts on properties. This work looks at two different classes of materials, including the defect roles in yttrium doped CeO2 and their impacts on structural and mechanical properties. The filling of anti-bonding states at the Fermi level for certain defects is reported to lead to mechanical instabilities. Further work considers all solid-state lithium ion batteries using the garnet-type Li7La3Zr2O12 (LLZO) solid electrolyte. The effects of cross diffusion at the catholyte interface are investigated. The impact of Al-doping in the cathode LiCoO2 (LCO) on Li diffusion kinetics is elucidated where the Al is present due to diffusion from LLZO into LCO. Co-site doping promotes Li-ion diffusion following the monovacancy diffusion mechanism, but a wide distribution of Li migration barriers is found, and non-uniform Li incorporation and distribution is expected during cycling. Further, electronic effects in Co-doped LLZO are studied where Co is found due to diffusion from LCO into LLZO. Battery operation can be hindered due to increased electronic conductivity upon Co-doping of LLZO.

English

ISBN: 9798310136328Subjects--Topical Terms:

543314
Materials science.
Subjects--Index Terms:

Defect engineering

Defect Engineering of Ceramic Oxide Materials /
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520 $a To gain an atomic scale understanding of defects in materials, density functional theory has become a widely used tool. Density functional theory allows to assess the thermodynamically accessible defects and their impacts on properties. This work looks at two different classes of materials, including the defect roles in yttrium doped CeO2 and their impacts on structural and mechanical properties. The filling of anti-bonding states at the Fermi level for certain defects is reported to lead to mechanical instabilities. Further work considers all solid-state lithium ion batteries using the garnet-type Li7La3Zr2O12 (LLZO) solid electrolyte. The effects of cross diffusion at the catholyte interface are investigated. The impact of Al-doping in the cathode LiCoO2 (LCO) on Li diffusion kinetics is elucidated where the Al is present due to diffusion from LLZO into LCO. Co-site doping promotes Li-ion diffusion following the monovacancy diffusion mechanism, but a wide distribution of Li migration barriers is found, and non-uniform Li incorporation and distribution is expected during cycling. Further, electronic effects in Co-doped LLZO are studied where Co is found due to diffusion from LCO into LLZO. Battery operation can be hindered due to increased electronic conductivity upon Co-doping of LLZO.
546 $a English
590 $a School code: 0251
650 4 $a Materials science. $3 543314
650 4 $a Energy. $3 876794
650 4 $a Physical chemistry. $3 1981412
650 4 $a Thermodynamics. $3 517304
653 $a Defect engineering
653 $a Ceramic oxide materials
653 $a Density functional theory
653 $a Electrolytes
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690 $a 0348
690 $a 0791
690 $a 0494
710 2 $a Washington State University. $b School of Mechanical and Materials Engineering. $e degree granting institution. $3 3818570
720 1 $a Beckman, Scott P. $e degree supervisor.
773 0 $t Dissertations Abstracts International $g 86-09B.
790 $a 0251
791 $a Ph.D.
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