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Title: Hybrid silicon–carbon nanostructures for broadband optical absorption

Proper design of nanomaterials for broadband light absorption is a key factor for improving the conversion efficiency of solar cells. Here we present a hybrid design of silicon–carbon nanostructures with silicon clusters coated by carbon cages, i.e., Si m@C 2n for potential solar cell application. The optical properties of these hybrid nanostructures were calculated based on time dependent density function theory (TDDFT). The results show that the optical spectra of Si m@C 2n are very different from those of pure Si m and C 2n clusters. While the absorption spectra of pure carbon cages and Si m clusters exhibit peaks in the UV region, those of the Si m@C 2n nanostructures exhibit a significant red shift. Superposition of the optical spectra of various Si m@C 2n nanostructures forms a broad-band absorption, which extends to the visible light and infrared regions. As a result, the broadband adsorption of the assembled Si m@C 2n nanoclusters may provide a new approach for the design of high efficiency solar cell nanomaterials.
Authors:
 [1] ;  [2] ;  [3] ;  [3]
  1. Qingdao Univ., Qingdao (People's Republic of China)
  2. Qingdao Univ., Qingdao (People's Republic of China); Jilin Univ., Changchun (People's Republic of China)
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Report Number(s):
IS-J-9241
Journal ID: ISSN 2046-2069; RSCACL
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 7; Journal Issue: 13; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1357790

Yang, Wen -Hua, Lu, Wen -Cai, Ho, K. M., and Wang, C. Z.. Hybrid silicon–carbon nanostructures for broadband optical absorption. United States: N. p., Web. doi:10.1039/C6RA27764K.
Yang, Wen -Hua, Lu, Wen -Cai, Ho, K. M., & Wang, C. Z.. Hybrid silicon–carbon nanostructures for broadband optical absorption. United States. doi:10.1039/C6RA27764K.
Yang, Wen -Hua, Lu, Wen -Cai, Ho, K. M., and Wang, C. Z.. 2017. "Hybrid silicon–carbon nanostructures for broadband optical absorption". United States. doi:10.1039/C6RA27764K. https://www.osti.gov/servlets/purl/1357790.
@article{osti_1357790,
title = {Hybrid silicon–carbon nanostructures for broadband optical absorption},
author = {Yang, Wen -Hua and Lu, Wen -Cai and Ho, K. M. and Wang, C. Z.},
abstractNote = {Proper design of nanomaterials for broadband light absorption is a key factor for improving the conversion efficiency of solar cells. Here we present a hybrid design of silicon–carbon nanostructures with silicon clusters coated by carbon cages, i.e., Sim@C2n for potential solar cell application. The optical properties of these hybrid nanostructures were calculated based on time dependent density function theory (TDDFT). The results show that the optical spectra of Sim@C2n are very different from those of pure Sim and C2n clusters. While the absorption spectra of pure carbon cages and Sim clusters exhibit peaks in the UV region, those of the Sim@C2n nanostructures exhibit a significant red shift. Superposition of the optical spectra of various Sim@C2n nanostructures forms a broad-band absorption, which extends to the visible light and infrared regions. As a result, the broadband adsorption of the assembled Sim@C2n nanoclusters may provide a new approach for the design of high efficiency solar cell nanomaterials.},
doi = {10.1039/C6RA27764K},
journal = {RSC Advances},
number = 13,
volume = 7,
place = {United States},
year = {2017},
month = {1}
}