Machine learning screening and high-throughput computation of 3d-transition-metal intercalated Janus PtXY/ζ-phosphorene (X ≠ Y; X, Y = S, Se, Te) heterostructures for photocatalytic water splitting
DFT-ML workflow to predict Gibbs free energy for hydrogen evolution reaction of various intercalated configuration of Janus heterostructures.
Authors
- Pooja Jamdagni (ORCID: https://orcid.org/0000-0001-8159-0337)
- Ashok Kumar (ORCID: https://orcid.org/0000-0003-3636-0502)
- Ramandeep Singh (ORCID: https://orcid.org/0000-0002-7101-6304)
- Sreesanth Kolangaravalappil
Institutions
- Central University of Punjab (IN)
Publication Details
- Journal
- Materials Advances
- Published
- 2025-12-17
- DOI
- https://doi.org/10.1039/d5ma01011j
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Department of Science and Technology, Ministry of Science and Technology, India
- Science and Engineering Research Board