Tuning the Optoelectronic Properties of Hybrid Functionalized MIL-125-NH2 for Photocatalytic Hydrogen Evolution
Source abstract
Abstract
Metal–organic frameworks (MOFs) constructed with mixed ligands have shown great promise in the generation of materials with improved sorption, optical, and electronic properties. With an experimental, spectroscopic, and computational approach, herein, we investigated how the incorporation of different functionalized ligands within the structure of MIL-125-NH2 affects its performance in photocatalytic water reduction. We found that multiligand incorporation within the MOF structure has an impact on the light absorption spectrum and the electronic structure. These combined modifications improve the photocatalytic performance of MIL-125-NH2, thereby increasing the rate of hydrogen evolution reaction. Of the four nanoparticle/MOF photocatalytic systems tested, we showed that the Pt/MIL-125-NH2/(OH)2 system (Pt nanoparticle plus MIL-125-NH2 with amino and dihydroxyl functionalized ligands) outperforms its counterpart Pt/MIL-125-NH2 system, attributed to the enhanced p−π conjugation between the lone pairs of O atoms and their aromatic ligands resulting in a red-shifted absorption spectrum and greater spatial distribution of electron density.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Advanced Photocatalysis Techniques · Advanced Nanomaterials in Catalysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Nano Chemistry, Faculty of Chemistry, Razi University, P.O. Box 6714967346, Kermanshah, Iran
Institute of Chemical Sciences and Engineering (ISIC), Ecole Poly-technique Fédérale de Lausanne (EPFL Valais), Rue de l’industrie 17, 1951 Sion, Switzerland
Department of Chemistry, Oregon State University, Corvallis, Oregon 97331, United States
Department of Physical Chemistry, Faculty of Chemistry, Razi University, P.O. Box 6714967346, Kermanshah, Iran
Computational Science Research Center, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea
Funding
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung · Ministry of Science Research and Technology · Korea Institute of Science and Technology · Department of Chemistry, Oregon State University · Iran Science Elites Federation
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