Molecular dynamics study of V2O5 glass

Abstract Structure of V 2 O 5 glass has been simulated by constant volume molecular dynamics technique. It was found that the glass is made up of a mixture of corner sharing VO 4 , VO 5 and VO 6 polyhedra with VO 5 dominating the matrix, having a 75% share of the total. Angular distribution of OVO bond angle shows VO 4 to be a tetrahedron, VO 5 to be square pyramidal and VO 6 to be an octahedron. Extensive bridging amongst the VO n polyhedra in all directions is observed.