Journal
PHYSICS LETTERS A
Volume 382, Issue 9, Pages 662-666Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2018.01.004
Keywords
Hydrogenated graphdiyne; First-principles calculation
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Funding
- Doctoral Scientific Research Foundation of Jiangxi Science and Technology Normal University [3000990107]
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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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