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Article
Alkali-metal-embedded in monolayer MoS2: optical properties and work functions
Embedding alkali-metal in monolayer MoS2 has been investigated by using first principles with density functional theory. The calculation of the electronic and optical properties indicates that alkali-metal was em...
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Article
Effect of vacancy defect on optoelectronic properties of monolayer tungsten diselenide
Optoelectronic properties of pristine and vacancy defect monolayer tungsten diselenide (WSe2) have been investigated by the first principles calculations. The results predicate that Se defect monolayer WSe2 is di...
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Article
GaN nanocones field emitters with the selenium do**
The pure and selenium (Se)-doped GaN nanocones were grown via a vapor–liquid–solid (VLS) mechanism with Pt catalysts. The diameter of GaN nanocones gradually decreases from ~500 to ~100 nm along the wire axis,...
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Article
Density functional theories study on optoelectronic properties of arsenic-doped GaN nanowires
The electronic and optical properties of As-doped GaN nanowires have been investigated using density functional theory. The energy gaps of As-doped GaN nanowires with different concentrations exhibit indirect ...