AI Article Synopsis
- The study explores the structural, elastic, and electronic properties of 2D materials called naphyne and naphdiyne, which are made up of naphthyl rings and acetylene linkages.
- Both materials belong to the orthorhombic lattice family and are structurally stable, comparable to other known materials like graphdiyne.
- Naphyne is an indirect semiconductor with a band gap of 0.273 eV, while naphdiyne has no band gap and features a Dirac point, making both suitable for applications in membrane separation and flexible nanoelectronics.
Article Abstract
The structural, elastic and electronic properties of 2D naphyne and naphdiyne sheets, which consist of naphthyl rings and acetylenic linkages, are investigated using first-principles calculations. Both naphyne and naphdiyne belong to the orthorhombic lattice family and exhibit the plane group. The structural stability of naphyne and naphdiyne are comparable to those of experimentally synthesized graphdiyne and graphtetrayne, respectively. The increase of acetylenic linkages provides naphdiyne with a larger pore size, a lower planar packing density and a lower in-plane stiffness than naphyne. Naphyne is found to be an indirect semiconductor with a band gap of 0.273 eV, while naphdiyne has no band gap and has a Dirac point. The band gaps of naphyne and naphdiyne are found to be modified by applied strain in the elastic range. These facts make naphyne and naphdiyne potential candidates for a wide variety of membrane separations and for fabrication of soft and strain-tunable nanoelectronic devices.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056910 | PMC |
| http://dx.doi.org/10.1039/d0ra07214a | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!