Dissociative adsorption of hydrogen on the ZrB2(0001) surface

► Dissociation of H2 on the ZrB2(0001) surface was studied. ► H2 readily dissociates on the Zr-terminated (0001) surface up to 1/2 ML coverage. ► Reflection absorption infrared spectra of H on ZrB2 agree with theoretical results. ► H is very mobile on the surface and it desorbs between 545 and 625 K.