Effect of N, C and B interstitial atoms on local bonding structure in mechanically activated TiH2/h-BN, TiH2/C, and TiH2/B mixtures

Mechanically activated TiH2/h-BN, TiH2/C and TiH2/B mixtures was studied by temperature-programmed desorption, X-ray diffraction, transmission electron microscopy and X-ray emission spectroscopy. Ball milling in the presence of additives results in a modification of hydrogen occupation sites. Additional Ti-N, Ti-C or Ti-B bonds from chemical bonding of Ti with interstitial N, C and B atoms, are formed in TiH2 due to contact of TiH2 nanoparticles with the respective additive matrix materials. Mixed configurations around Ti atoms with proportional combination of local Ti-H and Ti-N, Ti-C or Ti-B bonds significantly decrease the thermal stability of TiH2. The effect is most pronounced when boron is the additive.