Abstract
This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus.
High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we perform density-functional-theory calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as -type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the “zigzag” and “armchair” directions may permit the design of novel -type electronic materials and spintronics devices that incorporate both high electron affinities and very low internal reorganization energies.
- Received 15 August 2017
- Revised 11 February 2018
DOI:https://doi.org/10.1103/PhysRevApplied.9.054012
© 2018 American Physical Society
Physics Subject Headings (PhySH)
Collections
This article appears in the following collection:
Millie Dresselhaus: Her living scientific legacy
Physical Review Applied is pleased to present the “Collection in Memory of Mildred S. Dresselhaus,” documenting how the science she impacted lives on. Papers belonging to this collection will be published throughout 2018. The contributed articles, and an editorial by Guest Editors David Tománek and Morinobu Endo, are linked below.