Institute of Applied Chemistry;
Department of Chemistry and Chemical Engineering;
Key Laboratory of Computational Physics in Universities of Sichuan;
Yibin University;
Yibin 644007;
China;
Key Laboratory of Green Chemistry and Technology;
Ministry of Education;
College of Chemistry;
Sichuan University;
Chengdu 610064;
China;
polyoxometalates; α-Keggin-type; heteropolyanions; vanadium; substitution; oxidative; property; density; functional; theory; (DFT);