Ca2+ doped metal organic frameworks for enhanced photocatalytic ammonia synthesis

Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions

“…In conjunction with the dominant roles of the reaction mechanism, Lewis acid–base sites, the chemical environments in the vicinity of the uncoordinated nitrogen and Pb active sites in the samples, were analyzed by XPS. 46 The N 1s spectrum is shown in Fig. 4a.…”

Challenges and opportunities for the photo-(thermal) synthesis of ammonia

“…136,137 In fact, a recent work indicated that Zr-based MOFs activity could be increased via the incorporation of Ca 2+ dopants, resulting in a noteworthy increase in photocatalytic activity from 105 μmol g −1 h −1 in the unmodified MOF to 222.2 μmol g −1 h −1 in the modified counterpart. 138 Authors suggested that the introduction of Ca 2+ dopants promoted the redistribution of electrons around active Zr sites, thus reducing the activation energy of N 2 triple bonds as elucidated through DFT calculations. Furthermore, the utilization of porphyrins and metalloporphyrins as ligands for stable Zr-based MOF represents an alternative approach to formulate new photocatalysts for NH 3 production.…”

Interfacial Chemical-Bonded MoS2/In–Bi2MoO6 Heterostructure for Enhanced Photocatalytic Nitrogen-to-Ammonia Conversion

“…12 Utilizing element doping has demonstrated considerable efficacy in controlling the electronic structure and d-band center. 13 It was shown that doping Bi 2 MoO 6 with Fe facilitated charge transfer from the bulk to the surface. 14 Density functional theory (DFT) analysis recently performed by our team confirmed that In 3+ doping had shifted the d-band center and served as the active site, lowering the activation energy barrier for N 2 at the H 2 O/Indoped Bi 2 MoO 6 interface to complete "overall nitrogen fixation" via relay catalysis.…”

“…Bismuth-based composite oxides hold significant promise as semiconductors in diverse applications, owing to the hybridization of Bi 6s and O 2p orbitals that enables their responsiveness to visible light. , Among these materials, Bi 2 MO 6 (M = Mo, W) represents the simplest member of the Aurivillius family, characterized by its favorable charge transfer capability, appropriate bandgap width, and robust physicochemical stability . Utilizing element doping has demonstrated considerable efficacy in controlling the electronic structure and d-band center . It was shown that doping Bi 2 MoO 6 with Fe facilitated charge transfer from the bulk to the surface .…”