Unveiling the Structural Evolution of Ag1.2Mn8O16 under Coulombically Controlled (De)Lithiation

Huang, Jianping; Hu, Xiaobing; Brady, Alexander B.; Wu, Lijun; Zhu, Yimei; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.

doi:10.1021/acs.chemmater.7b03599

Title: Unveiling the Structural Evolution of Ag_1.2Mn₈O₁₆ under Coulombically Controlled (De)Lithiation

Journal Article · Sun Dec 17 00:00:00 EST 2017 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.7b03599· OSTI ID:1434772

^[1]; Hu, Xiaobing ^[2]; Brady, Alexander B. ^[1]; Wu, Lijun ^[2]; Zhu, Yimei ^[2];

^[3];

^[1]; Takeuchi, Kenneth J. ^[1]

Stony Brook Univ., Stony Brook, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Stony Brook Univ., Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

MnO₂ materials are considered promising cathode materials for rechargeable lithium, sodium, and magnesi-um batteries due to their earth abundance and environmental friendliness. One polymorph of MnO₂, α-MnO₂, has 2×2 tunnels (4.6 Å × 4.6 Å) in its structural framework, which provide facile diffusion pathways for guest ions. In this work, a silver ion containing α-MnO₂ (Ag_1.2Mn₈O₁₆) is examined as a candidate cathode material for Li based batteries. Electro-chemical stability of Ag_1.2Mn₈O₁₆ is investigated through Coulombically controlled reduction under 2 or 4 molar electron equivalents (e.e.). Terminal discharge voltage remains almost constant under 2 e.e. of cycling, whereas it continuously decreases under repetitive reduction by 4 e.e. Thus, detailed structural analyses were utilized to investigate the structural evolution upon lithiation. Significant increases in lattice a (17.7 %) and atomic distances (~4.8 %) are observed when x in Li_xAg_1.2Mn₈O₁₆ is >4. Ag metal forms at this level of lithiation concomitant with a large structural distortion to the Mn-O framework. In contrast, lattice a only expands by 2.2 % and Mn-O/Mn-Mn distances show minor changes (~1.4 %) at x <2. The structural deformation (tunnel breakage) at x >4 inhibits the recovery of the original structure, leading to poor cycle stability at high lithiation levels. This report establishes the correlation among local structure changes, amorphization processes, formation of Ag⁰ and long term cycle stability for this silver containing α-MnO₂ type material at both low and high lithiation levels.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Mesoscale Transport Properties (m2mt); Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704

OSTI ID:: 1434772

Report Number(s):: BNL-203551-2018-JAAM; TRN: US1802821

Journal Information:: Chemistry of Materials, Vol. 30, Issue 2; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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