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Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire
Pan H.
2014
Source PublicationNanoscale Research Letters
ISSN1556276X 19317573
Volume9Issue:1
Abstract

Design of novel materials for efficient solar energy conversion is critical to the development of green energy technology. In this work, we present a first-principles study on the design of nanostructures for solar energy harvesting on the basis of the density functional theory. We show that the indirect band structure of bulk silicon nitride is transferred to direct bandgap in nanowire. We find that intermediate bands can be created by doping, leading to enhancement of sunlight absorption. We further show that codoping not only reduces the bandgap and introduces intermediate bands but also enhances the solubility of dopants in silicon nitride nanowires due to reduced formation energy of substitution. Importantly, the codoped nanowire is ferromagnetic, leading to the improvement of carrier mobility. The silicon nitride nanowires with direct bandgap, intermediate bands, and ferromagnetism may be applicable to solar energy harvesting.

KeywordDoping First-principles Calculation Silicon Nitride Nanowire Solar Energy Harvesting
DOI10.1186/1556-276X-9-531
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaScience & Technology - Other Topics ; Physics ; Materials Science
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000343714600001
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Cited Times [WOS]:4   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
AffiliationUniversidade de Macau
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Pan H.. Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire[J]. Nanoscale Research Letters,2014,9(1).
APA Pan H..(2014).Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire.Nanoscale Research Letters,9(1).
MLA Pan H.."Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire".Nanoscale Research Letters 9.1(2014).
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