Enhanced As-COF nanochannels as a high-capacity anode for K and Ca-ion batteries

Shehzad Ahmed; Awais Ghani; Imran Muhammad; Iltaf Muhammad; Andleeb Mehmood; Naeem Ullah; Arzoo Hassan; Yong Wang; Xiaoqing Tian; Boris Yakobson

doi:10.1039/d3cp05171d

Enhanced As-COF nanochannels as a high-capacity anode for K and Ca-ion batteries

Phys Chem Chem Phys. 2024 Feb 22;26(8):6977-6983. doi: 10.1039/d3cp05171d.

Authors

Affiliations

¹ College of Physics and Optoelectronic Engineering, Shenzhen University, Guangdong 518060, P. R. China. xqtian@szu.edu.cn.
² Smart Materials for Architecture Research Lab, Innovation Center of Yangtze River Delta, Zhejiang University, Jiaxing 314100, P. R. China.
³ Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China.
⁴ School of Physics, Nankai University, Tianjin 300071, P. R. China.
⁵ Department of Materials Science and Nano Engineering, Department of Chemistry and the Smelly Institute for Nano Scale Science and Technology, Rice University, Houston, TX 77005, USA.

PMID: 38344751
DOI: 10.1039/d3cp05171d

Abstract

Covalent organic frameworks can be used for next-generation rechargeable metal-ion batteries due to their controllable spatial and chemical architectures and plentiful elemental reserves. In this study, the arsenic-based covalent organic framework (As-COF) is designed by employing the geometrical symmetry of a semiconducting phosphazene-based covalent organic framework that uses p-phenylenediamine as a linker and hexachorocyclotriphosphazene as an As-containing monomer in a C₃-like spatial configuration. The As-COF with engineered nanochannels demonstrates exceptional anodic behavior for potassium (K) and calcium (Ca) ion batteries. It exhibits a high storage capacity of about 914(2039) mA h g^-1, low diffusion barriers of 0.12(0.26) eV, low open circuit voltage of 0.23(0.18) V, and a minimal volume expansion of 2.41(2.32)% for K (Ca) ions. These attributes collectively suggest that As-COF could significantly advance high-capacity rechargeable batteries.