Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2025 Sep 26;64(40):e202513556.
doi: 10.1002/anie.202513556. Epub 2025 Aug 21.

Fe-Triazolate Metal-Organic Frameworks as Water Oxidation Catalysts with Dual Photoanode Functionality

Jully Patel #  1 , Naduvile Purayil Dileep #  1 , Vladimir Bondar  1 , Priya Gopal  2 , Anton V Sinitskiy  2 , Sergei Savikhin  1 , Yulia Pushkar  1
Affiliations

Fe-Triazolate Metal-Organic Frameworks as Water Oxidation Catalysts with Dual Photoanode Functionality

Jully Patel et al. Angew Chem Int Ed Engl. .

Abstract

Artificial photosynthesis is an emerging technology that achieves renewable fuels, such as hydrogen, from sunlight. Its realization depends on finding highly active and stable catalysts of water splitting and photoactive materials for light absorption. To be scalable, these should contain only abundant elements. Here, for the first time, Fe-triazolate (Fe(ta)2) and its metal substituted derivatives (Fe-Metal(ta)2) Metal-organic frameworks (MOFs) are characterized as new dual-function materials for photo-absorption and water oxidation catalysis in acidic media. The materials were studied by a range of structural, spectroscopic, and computational density functional theory (DFT) techniques. Fe(ta)2 and Fe-Mn(ta)2 were found to be highly active and stable in chemical and photochemical water oxidation, and in addition function as photoanodes, with photo-electrocatalytic currents (∼2.00 x 10-3 Acm-2 at + 1.4 V vs. Ag/AgCl) at pH = 1. The possibility of a unique catalytic mechanism where O─O bond formation is possible from the coupling of two adjacent FeIV = O fragments was demonstrated by DFT analysis. Thus, Fe-triazolate MOF has been established as a new, stable, scalable, versatile, and efficient platform for sustainable energy conversion in the realm of artificial photosynthesis.

Keywords: Artificial photosynthesis; Density functional theory; Fe and Fe–Mn triazolate; Metal‐organic frameworks; Photoanode; Water oxidation catalysis.

PubMed Disclaimer

References

    1. G. Segev, J. Kibsgaard, C. Hahn, Z. J. Xu, W.‐H. (S.) Cheng, T. G. Deutsch, C. Xiang, J. Z. Zhang, L. Hammarström, D. G. Nocera, A. Z. Weber, P. Agbo, T. Hisatomi, F. E. Osterloh, K. Domen, F. F. Abdi, S. Haussener, D. J. Miller, S. Ardo, P. C. Mcintyre, T. Hannappel, S. Hu, H. Atwater, J. M. Gregoire, M. Z. Ertem, I. D. Sharp, K.‐S. Choi, J. S. Lee, O. Ishitani, J. W. Ager, et al., J. Phys. D Appl. Phys. 2022, 55, 323003.
    1. M. Kumar, B. Meena, P. Subramanyam, D. Suryakala, C. Subrahmanyam, NPG Asia Mater 2022, 14, 88.
    1. T. Wydrzynski, S. Satoh, Photosystem II: The Light‐Driven Water:Plastoquinone Oxidoreductase, Springer, Dordrecht, 2005, 22, 786
    1. J. Patel, G. Bury, Y. Pushkar, Small 2024, 20, e2310106.
    1. A. K. Singh, L. Roy, ACS Omega 2024, 9, 9886–9920.

LinkOut - more resources