期刊
PHYSICS LETTERS A
卷 382, 期 9, 页码 662-666出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2018.01.004
关键词
Hydrogenated graphdiyne; First-principles calculation
资金
- Doctoral Scientific Research Foundation of Jiangxi Science and Technology Normal University [3000990107]
Based on recently synthesized two-dimensional graphdiyne, we have constructed several hydrogenated graphdiyne structures and studied their electronic structures and magnetic properties by first-principles calculations. Both direct and indirect band gap semiconductors are found in the nomagnetic hydrogenated configurations. Moreover, half semiconductors are found in the magnetic ground states of some hydrogenated graphdiyne structures we considered, although there is no transition metal element in the materials. (C) 2018 Elsevier B.V. All rights reserved.
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