2D Ge2Se2P4 Monolayer: A Versatile Photocatalyst for Sustainable Water Splitting

Tuan V. Vu*, Nguyen N. Hieu, Dat D. Vo, A. I. Kartamyshev, Hien D. Tong, Thuat T. Trinh, Vo Khuong Dien, Zakaryae Haman, Poulumi Dey*, Nabil Khossossi*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)


This study aims to identify photo-/electrocatalysts that can enhance the oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and oxygen reduction reaction (ORR), which are of utmost importance in electro-/photochemical energy systems, such as solar energy, fuel cells, water electrolyzers, or metal-air batteries. Our study focused on investigating the 2D Ge2Se2P4 monolayer and found that it exhibits a bifunctional photocatalyst with a very high solar-to-hydrogen efficiency. The two-dimensional (2D) Ge2Se2P4 monolayer has superior HER activity compared to that of most 2D materials, and it also outperforms the reference catalysts IrO2(110) and Pt(111) in terms of low overpotential values for ORR and OER mechanisms. Such superior catalytic performance in the 2D Ge2Se2P4 monolayer can be attributed to its electron states, charge transfer process, and suitable band alignments referring to normal hydrogen electrodes. Overall, the study suggests that the Ge2Se2P4 monolayer could be an excellent bifunctional catalyst for advancing photo-/electrochemical energy systems.

Original languageEnglish
Pages (from-to)4245-4257
Number of pages13
JournalJournal of Physical Chemistry C
Issue number10
Publication statusPublished - 2024

Bibliographical note

Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.


This study was funded by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (The Netherlands Organization for Scientific Research, NWO) domain Science for the use of supercomputer facilities and the Norwegian University of Science and Technology. Thuat T. Trinh acknowledges funding from the Research Council of Norway (RCN), the Center of Excellence Funding Scheme, project no. 262644, PoreLab.


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