Covalent Functionalized Black Phosphorus Quantum Dots
arXiv:1703.04743 · doi:10.1016/j.optmat.2017.11.016
Abstract
Black phosphorus (BP) nanostructures enable a new strategy to tune the electronic and optical properties of this atomically thin material. In this paper we show, via density functional theory calculations, the possibility to modify the optical properties of BP quantum dots via covalent functionalization. The quantum dot selected in this study has chemical formula P24H12 and has been covalent functionalized with one or more benzene rings or anthracene. The effect of functionalization is highlighted in the absorption spectra, where a red shift of the absorption is noticeable. The shift can be ascribed to an electron delocalization in the black phosphorus/organic molecule nanostructure.
17 pages, 8 figures
References in corpus (5)
- Fast and broadband photoresponse of few-layer black phosphorus field-effect transistors
- Semiconducting Black Phosphorus: Synthesis, Transport Properties and Electronic Applications
- Covalent Functionalization and Passivation of Exfoliated Black Phosphorus via Aryl Diazonium Chemistry
- On-line database of the spectral properties of polycyclic aromatic hydrocarbons
- Black Phosphorus based One-dimensional Photonic Crystals and Microcavities