Effects of pressure on hydrogen diffusion behaviors in MgO

diffusion in MgO increase with pressure. Notably, our results illustrate that hydrogen prefers to diffuse in solid MgO in its molecular state even under high pressure. Furthermore, the attempt frequency of hydrogen in MgO increases with temperature, while it decreases with pressure. This study will deepen our understanding of hydrogen diffusion behavior in MgO under high pressure and provide guidance for studies on particle diffusion in solid materials under extreme conditions.