Xianzhi Fu

Dynamic Evolution Redefines the Active Site of Cu/ZnO for Methanol Synthesis Through Iterative Molecular Dynamics Sampling

ABSTRACT The atomic‐scale identification of active sites in Cu/ZnO catalysts for CO 2 hydrogenation to methanol remains a longstanding challenging, owing to their dynamic transformation into poorly defined ensembles under working conditions. The interactions between adsorbates an...

Radical Negative‐Feedback in High Entropy UiO‐67 to Break the Activity–Stability Trade‐Off in Photocatalytic Oxygenation of CH 4

ABSTRACT The activity–stability trade‐off has long been a Gordian knot for metal–organic frameworks (MOFs) photocatalyst. Here, a high‐entropy UiO‐67 MOF (HE‐UiO‐67) constructed with 2,2'‐bipyridine‐5,5'‐dicarboxylic acid as the linker and ZrCeHfSnFe metal nodes was designed to i...