Zr-based metal-organic frameworks as carbon-free energy carriers: a study of their structural interactions with ammonia

Structural information of Zr-based MOFs including UiO-67, m-UiO-67, and UiO-bpydc upon ammonia loading will be investigated by an in situ neutron powder diffraction technique. Rietveld refinement will be conducted to elucidate adsorption geometries and locations of ammonia in this MOF-guest system, enabling an understanding of the exceptional ammonia uptake and the unusual adsorption behaviours of m-UiO-67 and UiO-bpydc. This work will lead to an improved ammonia storage and a more rational design for catalytic ammonia decomposition.