Citation: Shiyu Ma, Youcai Lu, Hongchang Yao, Qingchao Liu, Zhongjun Li. Enhancing the process of CO₂ reduction reaction by using CTAB to construct contact ion pair in Li-CO₂ battery[J]. Chinese Chemical Letters, ;2022, 33(6): 2933-2936. doi: 10.1016/j.cclet.2021.10.089 shu

Enhancing the process of CO₂ reduction reaction by using CTAB to construct contact ion pair in Li-CO₂ battery

Green Catalysis Center, and College of Chemistry, Zhengzhou University, Zhengzhou 450001, China

qcliu@zzu.edu.cn

lizhongjun@zzu.edu.cn

Received Date: 8 August 2021
Revised Date: 26 October 2021
Accepted Date: 28 October 2021
Available Online: 5 November 2021

Figures(4)

Aprotic Li-CO₂ batteries have attracted growing interest due to their high theoretical energy density and its ability to use green house gas CO₂ for energy storage. However, the poor ability of activating CO₂ in organic electrolyte often leads to the premature termination of CO₂ reduction reaction (CO₂RR) directly. Here in this work, cetyl trimethyl ammonium bromide (CTAB) was introduced into a dimethyl sulfoxide (DMSO) based Li-CO₂ battery for the first time to enhance the CO₂RR. Significantly improved electrochemical performances, including reduced discharge over-potential and increased discharge capacity, can be achieved with the addition of CTAB. Ab initio molecular dynamics (AIMD) simulations show that quaternary ammonium group CTA⁺ can accelerate CO₂ reduction process by forming more stable contact ion pair (CIP) with CO₂^-, reducing the energy barrier for CO₂RR, thus improving the CO₂ reduction process. In addition, adding CTA⁺ is also favorable for the solution-phase growth of discharge products because of the improved migration ability of stable CTA⁺-CO₂^- CIP in the electrolyte, which is beneficial for improving the utilization ratio of cathode. This work could facilitate the development of CO₂RR by providing a novel understanding of CO₂RR mechanism in organic system.
- CO₂ reduction reaction,
- Li-CO₂ battery,
- Quaternary ammonium additive,
- Contact ion pair,
- AIMD
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Enhancing the process of CO2 reduction reaction by using CTAB to construct contact ion pair in Li-CO2 battery

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通讯作者: 陈斌, bchen63@163.com

Enhancing the process of CO₂ reduction reaction by using CTAB to construct contact ion pair in Li-CO₂ battery