A comparative DFT evaluation of the photocatalytic activity and NLO properties of monolayer two-dimensional M<sub>3</sub>X<sub>4</sub> (M = C, Si, Ge; X = N, P, As) quantum dots
Density functional theory (DFT) calculations were carried out to examine the electronic structure of a new class of two-dimensional quantum dots (QDs), including C 3 P 4 , C 3 As 4 , Ge 3 N 4 , Ge 3 P 4 , Ge 3 As 4 , Si 3 N 4 , Si 3 P 4 , and Si 3 As 4 .
Authors
- Hamidreza Jouypazadeh (ORCID: https://orcid.org/0000-0001-5482-066X)
- A.R. Riahi (ORCID: https://orcid.org/0000-0002-1682-2178)
- Hossein Farrokhpour (ORCID: https://orcid.org/0000-0002-3925-7394)
Institutions
- Isfahan University of Technology (IR)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj01883h
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00