Mohammadnezhad, Farrokh Kampouri, Stavroula Wolff, Samuel K. Xu, Yunkai Feyzi, Mostafa Lee, Jung-Hoon Ji, Xiulei Stylianou, Kyriakos C. 2024-01-19T15:31:19Z 2024-01-19T15:31:19Z 2021-10-21 2021-02-03 1944-8244 https://pubs.kist.re.kr/handle/201004/117419 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-12S-NH2 system, attributed to the enhanced p-pi 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. English American Chemical Society METAL-ORGANIC FRAMEWORKS SELECTIVE OXIDATION CO2 REDUCTION WATER NH2-MIL-125(TI) NANOPARTICLES Tuning the Optoelectronic Properties of Hybrid Functionalized MIL-125-NH2 for Photocatalytic Hydrogen Evolution Article 10.1021/acsami.0c19345 1 ACS Applied Materials & Interfaces, v.13, no.4, pp.5044 - 5051 ACS Applied Materials & Interfaces 13 4 5044 5051 scie scopus 000618153100024 2-s2.0-85100263566 Nanoscience & Nanotechnology Materials Science, Multidisciplinary Science & Technology - Other Topics Materials Science Article METAL-ORGANIC FRAMEWORKS SELECTIVE OXIDATION CO2 REDUCTION WATER NH2-MIL-125(TI) NANOPARTICLES metal-organic frameworks mixed ligands photocatalysis hydrogen production stability