A study of ammonia kinetics in Zr-based metal-organic frameworks

Combined with computational modeling, in situ quasi-elastic neutron scattering (QENS) at OSIRIS beamline will be employed to study ammonia transport and self- diffusivities at 298 K in 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 structure-adsorption relationships 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.