Multitechnique assessment stability of Metal-Organic Frameworks in Alkaline Environments

Metal-Organic Frameworks (MOFs) are interesting candidates as electrocatalysts for water splitting. However, the current understanding of their physico-chemical stability in the presence of electrolytes under acidic/alkaline conditions is limited, posing a critical challenge for their practical applications. In this context, we are investigating with a multi-technique approach the stability of mono- and bi-metallic MOF-808 (Zr, Ce) and CPO-27 (Ni, Zn) under conditions relevant to electrocatalytic water splitting. Herein, we aim at exploring the potential of neutron spectroscopies as a novel tool to understand at the atomic scale the degradation phenomena in MOF materials for electrocatalytic reactions. Exploiting the unique capabilities of VESUVIO, we propose to collect Neutron Compton scattering and Gamma spectroscopy (together with INS measurement requested on TOSCA) on a well-characterized series of MOFs in their as-prepared states and after exposure to KOH solutions at controlled concentration. Data analysis in close collaboration with the VESUVIO staff, will reveal degradation-induced modifications in NMDs, to be compared with results from other long-range/local structural techniques (PXRD, PDF, EXAFS), and AIMD calculations. Taken together, these results will provide novel insights on the chemical dynamics of hydrogen-bonded atomic species during various steps of MOF degradation, eventually paving the way to important methodological development in the field.