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• W2019840329 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." @default.
• W2019840329 created "2016-06-24" @default.
• W2019840329 creator A5075862322 @default.
• W2019840329 date "2014-09-26" @default.
• W2019840329 modified "2023-09-27" @default.
• W2019840329 title "Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire" @default.
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• W2019840329 doi "https://doi.org/10.1186/1556-276x-9-531" @default.
• W2019840329 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4186815" @default.
• W2019840329 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25294975" @default.
• W2019840329 hasPublicationYear "2014" @default.
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