Zr-based metal-organic frameworks as carbon-free energy carriers: a study of the interactions between stored ammonia and the host structure

Combined with computational modeling, in situ inelastic neutron scattering (INS) will be employed to reveal the nature of the interactions between stored ammonia and the host structure of UiO-67 metal-organic frameworks (MOFs) as a function of increased ammonia loading. Results will be used to interpret the stepped ammonia sorption isotherms of these materials, which may open a new perspective of the structure-adsorption relationship in MOF materials. Findings will also enable our rational design of Zr-based MOFs for efficient catalytic ammonia decomposition to produce hydrogen for fuel cell applications.