In situ decoration of CoP/Ti 3 C 2 T x composite as efficient electrocatalyst for Li-oxygen battery

Application of Li-oxygen (Li-O 2 ) battery is in urgent need of bifunctional ORR/OER electrocatalyst. A surface-functionalization CoP/Ti 3 C 2 T x composite was fabricated theoretically, with the optimized electronic structure and more active electron, which is beneficial to the electrochemical reaction. The accordion shaped Ti 3 C 2 T x is featured with large specific surface area and outstanding electronic conductivity, which is beneficial for the adequate exposure of active sites and the deposition of Li 2 O 2 . Transition metal phosphides provide more electrocatalytic active sites and present good electrocatalytic effect. The CoP/Ti 3 C 2 T x composite served as the electrocatalyst of Li-O 2 battery reaches a high specific discharge capacity of 17,413 mAh/g at 100 mA/g and the lower overpotential of 1.25 V, superior to those of the CoP and Ti 3 C 2 T x individually. The composite of transition metal phosphides and MXene are applied in Li-O 2 battery, not only demonstrating higher cycling stability of the prepared CoP/Ti 3 C 2 T x composite, but pointing out the direction for their electrochemical performance improvement.(c) 2022 Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.

Automated summary

This paper introduces a novel Li-O2 battery electrocatalyst, a surface-functionalized CoP/Ti3C2Tx composite. The composite exhibits optimized electronic structure and active electrons, which enhance the efficiency of electrochemical reactions. The accordion shaped Ti3C2Tx with large specific surface area and excellent electronic conductivity enables sufficient exposure of active sites and Li2O2 deposition. Transition metal phosphides provide more active catalytic sites and exhibit good electrocatalytic performance. As an electrocatalyst in Li-O2 battery, the CoP/Ti3C2Tx composite achieves high specific discharge capacity and low overpotential, outperforming CoP and Ti3C2Tx individually. The application of transition metal phosphides and MXene in Li-O2 battery not only demonstrates higher cycling stability of the prepared composite, but also points out the direction for improving their electrochemical performance.