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General rules of the sub-band gaps in group-IV (Si, Ge, and Sn)-doped I-III-VI2-type chalcopyrite compounds for intermediate band solar cell : A first-principles study
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- Huang, Dan (author)
- Guangxi Univ, Guangxi Coll & Univ Key Lab Novel Energy Mat & Re, Guangxi Novel Battery Mat Res Ctr Engn Technol,Sc, Guangxi Key Lab Proc Non Ferrous Metall & Feature, Nanning 530004, Peoples R China.;Guilin Univ Elect Technol, Sch Mat Sci & Engn, Guangxi Collaborat Innovat Ctr Struct & Property, Guilin, Peoples R China.
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- Jiang, Jing-Wen (author)
- Guangxi Univ, Guangxi Coll & Univ Key Lab Novel Energy Mat & Re, Guangxi Novel Battery Mat Res Ctr Engn Technol,Sc, Guangxi Key Lab Proc Non Ferrous Metall & Feature, Nanning 530004, Peoples R China.
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- Guo, Jin (author)
- Guangxi Univ, Guangxi Coll & Univ Key Lab Novel Energy Mat & Re, Guangxi Novel Battery Mat Res Ctr Engn Technol,Sc, Guangxi Key Lab Proc Non Ferrous Metall & Feature, Nanning 530004, Peoples R China.;Guilin Univ Elect Technol, Sch Mat Sci & Engn, Guangxi Collaborat Innovat Ctr Struct & Property, Guilin, Peoples R China.
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- Guangxi Univ, Guangxi Coll & Univ Key Lab Novel Energy Mat & Re, Guangxi Novel Battery Mat Res Ctr Engn Technol,Sc, Guangxi Key Lab Proc Non Ferrous Metall & Feature, Nanning 530004, Peoples R China;Guilin Univ Elect Technol, Sch Mat Sci & Engn, Guangxi Collaborat Innovat Ctr Struct & Property, Guilin, Peoples R China. Guangxi Univ, Guangxi Coll & Univ Key Lab Novel Energy Mat & Re, Guangxi Novel Battery Mat Res Ctr Engn Technol,Sc, Guangxi Key Lab Proc Non Ferrous Metall & Feature, Nanning 530004, Peoples R China. (creator_code:org_t)
- ELSEVIER SCIENCE BV, 2018
- 2018
- English.
- In: Materials Science & Engineering. - : ELSEVIER SCIENCE BV. - 0921-5107 .- 1873-4944. ; 236, s. 147-152
- Journal article (peer-reviewed)
Abstract
Subject headings
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- In this work, we have investigated Si, Ge and Sn doped at III-site(Ga or Al) in CuGaSe2, CuAlSe2, AgGaSe2, and AgAlSe2 as the candidates for intermediate band solar cell (IBSC), and demonstrated that the absolute energy levels of the intermediate band from a given group IV dopant in various Se-based chalcopyrite hosts do not show remarkable changes. This is resulted from the fact that the intermediate band originates from the same anti-bonding state of IV-s and Se-p states. The intermediate bands sequence of Ge* < Sn* < Si* from the different dopants in the same chalcopyrite host is explained by a simple model based on the atomic orbital energy and bond interaction. Furthermore, Sn-doped CuAlSe2 with the suitable main-gap and sub-gaps has been selected out as a potential candidate for IBSC, and alloying with isovalent cations to adjust to proper sub-band gaps has been demonstrated in Ge-doped (Ag,Cu)AlSe2 and Ag(Ga,Al)Se-2.( )
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- Intermediate band solar cell
- Chalcopyrite compound
- First-principles calculation
- Doping
Publication and Content Type
- ref (subject category)
- art (subject category)
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- Huang, Dan
- Jiang, Jing-Wen
- Guo, Jin
- Zhao, Yu-Jun
- Chen, Rongzhen
- Persson, Clas
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- Royal Institute of Technology
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