Catalytically active sites of MOF-derived electrocatalysts: synthesis, characterization, theoretical calculations, and functional mechanisms
Zibo Zhai, Wei Yan, Dong Li, Shu‐Qi Deng, David P. Wilkinson, Xiaomin Wang, Lei Zhang, Jiujun Zhang
Abstract
MOF-derived catalysts are discussed in the atomic-level active sites. Advanced characterizations and DFT calculations are summarized for fundamental understanding of catalytic mechanisms. Challenges are analyzed and research directions are proposed.
Topics & Concepts
Characterization (materials science)CatalysisMaterials scienceNanotechnologyDensity functional theoryComputational chemistryChemistryCombinatorial chemistryOrganic chemistryElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceMetal-Organic Frameworks: Synthesis and Applications