Article ID Journal Published Year Pages File Type
8203911 Physics Letters A 2018 5 Pages PDF
Abstract
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.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
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