| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1560051 | Computational Materials Science | 2016 | 9 Pages |
Abstract
We present a comprehensive study of the Li-decoration on the edge oxidized graphyne and graphdiyne nanoflakes. Various types of oxygen groups were selected for functionalizing these carbon surfaces. The band gap of functionalized surfaces can be engineered by selective lithiation over a wide range between 0.01 and 1.31Â eV.113
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Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Afshan Mohajeri, Azin Shahsavar,