Fullerene-based single molecule diodes with huge rectification ratios: a DFT-NEGF study
A molecular device composed of a fullerene and phenylacetylenes sandwiched by gold electrodes has a huge rectification ratio of 22 thousand. The coupling between the fullerene, gold tip electrode and coplanar phenylacetylenes plays a dominant role.
Authors
- Yuewen Mu (ORCID: https://orcid.org/0000-0002-0162-5091)
- Si‐Dian Li (ORCID: https://orcid.org/0000-0001-5666-0591)
- Zhao‐Di Yang (ORCID: https://orcid.org/0000-0003-4872-086X)
- Minxi Zhang (ORCID: https://orcid.org/0000-0003-0671-8569)
Institutions
- Shanxi University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4tc04233f
- Primary Topic
- Molecular Junctions and Nanostructures
- Type
- article
- Field-Weighted Citation Impact
- 0.00