MgVPO4F as a one-dimensional Mg-ion conductor for Mg ion battery positive electrode: a first principles calculation
Abstract
MgVPO4F is proposed as a cathode material for rechargeable Mg ion batteries for the first time. First principles calculations were performed to study the electrochemical properties of MgVPO4F as a positive electrode material for rechargeable Mg ion batteries. Our theoretical study gives an expectation of good battery performance by MgVPO4F.