Residential College | false |
Status | 已發表Published |
Ab initio design of nanostructures for solar energy conversion: a case study on silicon nitride nanowire | |
Pan H. | |
2014-09-26 | |
Source Publication | Nanoscale Research Letters |
ISSN | 1931-7573 |
Volume | 9Issue: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. |
Keyword | Doping First-principles Calculation Silicon Nitride Nanowire Solar Energy Harvesting |
DOI | 10.1186/1556-276X-9-531 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Science & Technology - Other Topics ; Physics ; Materials Science |
WOS Subject | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
WOS ID | WOS:000343714600001 |
Scopus ID | 2-s2.0-84919935390 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Pan H. |
Affiliation | Universidade de Macau |
First Author Affilication | University of Macau |
Corresponding Author Affilication | University 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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