Hydrogen diffusion behavior and vacancy interaction behavior in OsO2 and RuO2 by ab initio calculations

•DFT calculations are used to study hydrogen diffusion behavior in OsO2 and RuO2.•Hydrogen diffusion activation energies are 0.793eV and 0.659eV in OsO2 and RuO2.•Vacancy behavior and hydrogen-vacancy interactions are investigated.•Vacancy defects tend to aggregate together.•Binding energies of H atoms may promote vacancy formation in RuO2.