Prediction of Silicon-Based Layered Structures for Optoelectronic Applications.
A method based on the particle swarm optimization algorithm is presented to design quasi-two-dimensional materials. With this development, various single-layer and bilayer materials of C, Si, Ge, Sn, and Pb were predicted. A new Si bilayer structure is found to have a more favored energy than the pr...
| Publicado en: | Journal of the American Chemical Society Vol. 136; no. 45; pp. 15992 - 15998 |
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| Autores principales: | , , , |
| Formato: | Artículo |
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American Chemical Society
11/12/2014
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=99799385&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 99799385 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 11/12/2014 vid: 136 iid: 45 pid: 997 pub: American Chemical Society artinfo: ui: 99799385 10.1021/ja507147p ppf: 15992 ppct: 6 formats: tig: atl: Prediction of Silicon-Based Layered Structures for Optoelectronic Applications. aug: au: Wei Luo Xingao Gong Hongjun Xiang Yanming Ma affil: Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, P. R. China Collaborative Innovation Center of Advanced Microstructures, Fudan University, Shanghai 200433, P. R. China Department of Cell Biology, New York University Medical Center, New York, New York, U.S.A su: Optoelectronics Silicon Hydrogenation Particle swarm optimization Light emitting diodes Photovoltaic power generation Density functional theory sug: subj: Optoelectronics Silicon Hydrogenation Particle swarm optimization Light emitting diodes Photovoltaic power generation Density functional theory ab: A method based on the particle swarm optimization algorithm is presented to design quasi-two-dimensional materials. With this development, various single-layer and bilayer materials of C, Si, Ge, Sn, and Pb were predicted. A new Si bilayer structure is found to have a more favored energy than the previously widely accepted configuration. Both single-layer and bilayer Si materials have small band gaps, limiting their usages in optoelectronic applications. Hydrogénation has therefore been used to tune the electronic and optical properties of Si layers. We discover two hydrogenated materials of layered SiH and SiH possessing quasidirect band gaps of 0.75 and 1.59 eV, respectively. Their potential applications for light-emitting diode and photovoltaics are proposed and discussed. Our study opened up the possibility of hydrogenated Si layered materials as next-generation optoelectronic devices. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2014 holdings: @attributes: islocal: N |
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