| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5463478 | Materials Letters | 2017 | 7 Pages |
Abstract
We have investigated the electronic structures and transport properties of nitrogen-doped vacancy zigzag graphene nanoribbons (NV-ZGNRs) as sensors for detecting 2, 4-dichlorophenol (2, 4-DCP) molecule in water using density functional theory (DFT) in conjunction with non-equilibrium Green's function (NEGF) method. It is found that NV-ZGNRs are more sensitive to 2, 4-DCP than pristine ZGNRs owing to the active nitrogen-vacancy site in ZGNRs. The nitrogen-doped vacancy site can couple with the adsorbed 2, 4-DCP as an active sensing site.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Nanotechnology
Authors
Ke Li, Lei Chen, Li Bai, Di Zhao,