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  Photocatalytic water splitting reaction catalyzed by ion-exchanged salts of potassium poly(heptazine imide) 2D materials

Sahoo, S. K., Teixeira, I., Naik, A., Heske, J., Cruz, D., Antonietti, M., et al. (2021). Photocatalytic water splitting reaction catalyzed by ion-exchanged salts of potassium poly(heptazine imide) 2D materials. The Journal of Physical Chemistry C, 125(25), 13749-13758. doi:10.1021/acs.jpcc.1c03947.

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Sahoo, Sudhir K., Author
Teixeira, Ivo1, Author              
Naik, Aakash, Author
Heske, Julian1, Author              
Cruz, Daniel, Author
Antonietti, Markus1, Author              
Savateev, Aleksandr2, Author              
Kühne, Thomas D., Author
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1Markus Antonietti, Kolloidchemie, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863321              
2Aleksandr Savateev, Kolloidchemie, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_2421702              

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 Abstract: Potassium poly (heptazine imide) (K-PHI), a crystalline two-dimensional carbon–nitride material, is an active photocatalyst for water splitting. The potassium ions in K-PHI can be exchanged with other ions to change the properties of the material and eventually to design the catalysts. We report here the electronic structures of several ion-exchanged salts of K-PHI (K, H, Au, Ru, and Mg) and their feasibility as water splitting photocatalysts, which were determined by density functional theory (DFT) calculations. The DFT results are complemented by experiments where the performances in the photocatalytic hydrogen evolution reaction (HER) were recorded. We show that due to its narrow band gap, Ru-PHI is not a suitable photocatalyst. The water oxidation potentials are straddled between the band edge potentials of H-PHI, Au-PHI, and Mg-PHI; thus, these are active photocatalysts for both the oxygen and hydrogen evolution reactions, whereas K-PHI is active only for the HER. The experimental data show that these are active HER photocatalysts, in agreement with the DFT results. Furthermore, Mg-PHI has shown remarkable performance in the HER, with a rate of 539 μmol/(h·g) and a quantum efficiency of 7.14% at 410 nm light irradiation, which could be due to activation of the water molecule upon adsorption, as predicted by our DFT calculations.

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Language(s): eng - English
 Dates: 2021-06-162021
 Publication Status: Published in print
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 Identifiers: DOI: 10.1021/acs.jpcc.1c03947
BibTex Citekey: doi:10.1021/acs.jpcc.1c03947
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Title: The Journal of Physical Chemistry C
  Abbreviation : J. Phys. Chem. C
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 125 (25) Sequence Number: - Start / End Page: 13749 - 13758 Identifier: ISSN: 1932-7447