Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials

Saddam Sk; Hafijul Islam; B. Moses Abraham; Indranil Mondal; Ujjwal Pal

doi:10.1002/smtd.202401689

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Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials

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Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials

Saddam Sk, Hafijul Islam, B. Moses Abraham, Indranil Mondal and Ujjwal Pal

Small methods, v 9(7), 2401689

01 Jul 2025

DOI: https://doi.org/10.1002/smtd.202401689

PMID: 39614753

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Abstract

Chemistry

Chemistry, Physical

Materials Science, Multidisciplinary

Nanoscience & Nanotechnology

Science & Technology

Science & Technology - Other Topics

Materials Science

Physical Sciences

Technology

Metal-organic frameworks (MOFs) are highly studied for solar H-2 production from H2O due to their abundant active sites and open pore channels. Titanium (Ti) and Zirconium (Zr) MOFs are particularly noted for their stability and optoelectronic properties, resembling conventional metal oxide semiconductors. These MOFs allow molecular-level tuning to alter optoelectronic properties, creating opportunities to enhance catalytic activity. Introducing defects in the MOF's structure is a versatile strategy for modifying molecular topology, morphology, and optical and electronic properties. This review compiles essential methods for synthesizing defect-oriented MOFs, discussing characterization techniques and their structural and electronic modifications to boost catalytic activity. It also highlights the connection between photocatalytic H-2 production and MOF properties, exploring strategies to address current limitations using defective Ti and Zr-based MOFs. Additionally, the role of machine learning (ML) in predicting MOF properties for faster material discovery and optimization is emphasized. This review aims to identify challenges and propose ideas for designing future defect-oriented MOF photocatalysts.

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Title: Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials
Creators: Saddam Sk - Indian Institute of Chemical Technology
Hafijul Islam - Indian Institute of Chemical Technology
B. Moses Abraham - Drexel University
Indranil Mondal - Indian Institute of Science Education and Research Thiruvananthapuram
Ujjwal Pal - Indian Institute of Chemical Technology
Publication Details: Small methods, v 9(7), 2401689
Publisher: Wiley
Number of pages: 39
Grant note: Government of India DST/TMD/HFC/2K18/60/(C)/3 / Fulbright-Kalam Climate Postdoctoral Fellowship 2980/FKPDR/2023 / United States-India Educational Foundation, New Delhi, India
Resource Type: Journal article
Language: English
Academic Unit: Materials Science and Engineering
Web of Science ID: WOS:001367802700001
Scopus ID: 2-s2.0-85210739516
Other Identifier: 991022197328804721

Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials

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