First principles study on Na-Rich layered-oxide electrode materials = 소듐-리치 층상 산화물 전극 재료에 대한 제일원리 계산 연구

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Sodium-ion batteries have attracted great attention since sodium is abundant and is low in cost. However, needs for development of new cathode materials are steadily increasing because conventional layered oxide $NaMO_2$ has limited energy density. Na-rich layered oxide $Na_2MO_3$ is attractive cathode material for alleviating the energy density issue. Here, we conduct first principles calculations for $Na_2MO_3$ (M = transition or post-transition metal) compounds. Through a systematic search based on properties including phase stability, operating voltage, and stability against oxygen loss, we provide several promising $Na_2MO_3$ compounds that are worthy of electrochemical evaluation.
Advisors
Jung, Yousungresearcher정유성researcher
Description
한국과학기술원 :생명화학공학과,
Publisher
한국과학기술원
Issue Date
2019
Identifier
325007
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 생명화학공학과, 2019.2,[iii, 26 p. :]

Keywords

Sodium-ion battery▼afirst principles calculation▼adensity functional theory; 소듐 이온 전지▼a제일원리 계산▼a밀도범함수이론

URI
http://hdl.handle.net/10203/266389
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=843220&flag=dissertation
Appears in Collection
CBE-Theses_Master(석사논문)
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