Citation: Pengcheng Liu, Peng Xiao, Ming Lu, Hui Wang, Na Jin, Zifeng Lin. Lithium storage properties of Ti₃C₂T_x (T_x = F, Cl, Br) MXenes[J]. Chinese Chemical Letters, ;2023, 34(4): 107426. doi: 10.1016/j.cclet.2022.04.024 shu

Lithium storage properties of Ti₃C₂T_x (T_x = F, Cl, Br) MXenes

Pengcheng Liu ^a ,
Peng Xiao ^a ,
Ming Lu ^b ,
Hui Wang ^c ,
Na Jin ^a ,
Zifeng Lin ^{a, d, *,}

a.
College of Materials Science and Engineering, Sichuan University, Chengdu 610065, China
b.
The Joint Laboratory of MXene Materials, Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, China
c.
Institute for Advanced Study, Chengdu University, Chengdu 610106, China
d.
Engineering Research Center of Alternative Energy Materials and Devices, Ministry of Education, Chengdu 610065, China

linzifeng@scu.edu.cn

Received Date: 23 March 2022
Revised Date: 6 April 2022
Accepted Date: 7 April 2022
Available Online: 12 April 2022

Figures(4)

In this work, Ti₃C₂T_x MXene with -F, -Cl and -Br surface terminations are synthesized and the effect of these halogen terminations on the lithium storage properties is investigated. A maximum Li⁺ storage capacity of 189 mAh/g is achieved with Ti₃C₂Br_x MXene much higher than Ti₃C₂Cl_x and Ti₃C₂F_x with 138 mAh/g and 123 mAh/g, respectively. Density functional theory (DFT) calculation shows that the adsorption formation energy of halogen atoms on Ti atoms follows the trend of Ti-F > Ti-Cl > Ti-Br, leading to the same trend in the content of terminations on corresponding MXenes. In addition, inevitable exposure of MXene to oxygen causes competition between halogen and oxygen. Theoretical results show Ti₃C₂Br_x MXene has the highest Ti to O ratio and the lowest Ti to Br ratio, the high lithium affinity of O explains the maximum Li-ion storage capacity with Ti₃C₂Br_x MXene. This work shed light on the opportunity for achieving improved lithium storage properties of MXene electrodes by regulating the surface chemistry.
- MXene,
- Molten salt synthesis,
- Halogen termination,
- Li⁺ storage,
- Electrochemistry
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Lithium storage properties of Ti3C2Tx (Tx = F, Cl, Br) MXenes

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Lithium storage properties of Ti₃C₂T_x (T_x = F, Cl, Br) MXenes