An interactive design for sustainable oxygen capacity in alkali-ion batteries,Energy & Environmental Science

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An interactive design for sustainable oxygen capacity in alkali-ion batteries
Energy & Environmental Science ( IF 32.4 ) Pub Date : 2022-09-30 , DOI: 10.1039/d2ee02199d
Jaewoon Lee ₁ , Duho Kim ₁

Affiliation

Nonhysteretic and reversible (nHR) oxygen redox is desirable for high-energy-density cathodes in lithium-ion batteries (LIBs); however, serious challenges remain. An interactive design concept that mimics the nHR anionic activity of Li-excess Na oxide for sodium-ion batteries is proposed herein to harness the full potential of the oxygen capacity of Li₂MnO₃ in LIBs. We investigated the reversible stacking sequence transition induced by layer gliding accompanied by oxygen redox during (de)sodiation in Na-layered oxides, with Li ions at the tetrahedral sites of the charged structure. Intriguingly, the stacking transition in F-doped Li₂MnO₃ was identified as a reversible reaction, and the delithiated phase exhibiting no O–O dimers included a consistent Li configuration of the Na cathode. Although in-plane Mn migration resulted in the formation of molecular O₂ trapped in the bulk, the detailed electronic structures in the normal delithiation mode exhibited reversible lattice O(2p) activity.

中文翻译：

碱离子电池可持续氧容量的交互式设计

对于锂离子电池 (LIB) 中的高能量密度阴极，需要非迟滞和可逆 (nHR) 氧氧化还原；然而，严峻的挑战依然存在。本文提出了一种交互式设计概念，该概念模拟用于钠离子电池的过量锂氧化物的 nHR 阴离子活性，以充分利用锂离子电池中 Li ₂ MnO ₃的氧容量潜力。我们研究了在钠层氧化物中（去）钠化过程中由层滑动引起的可逆堆叠序列转变，伴随着氧氧化还原，锂离子位于带电结构的四面体位置。有趣的是，F掺杂的Li ₂ MnO _{3中的堆叠转变}被确定为可逆反应，并且不显示 O-O 二聚体的脱锂相包括钠正极的一致锂构型。虽然面内Mn 迁移导致形成被困在大容量中的分子O _{2 ，但正常脱锂模式下的详细电子结构表现出可逆晶格O(2p) 活性。}

更新日期：2022-09-30

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