![]() ![]() Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. ![]() Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be less more » effective dopants. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. Solar Energy Technologies Office SunShot Foundational Program to Advance Cell Efficiency (F-PACE) USDOE Office of Science (SC), Basic Energy Sciences (BES) OSTI Identifier: 1337540 Alternate Identifier(s): OSTI ID: 1474987 Report Number(s): NREL/JA-5K00-67637 Journal ID: ISSN 1944-8244 Grant/Contract Number: AC36-08GO28308 AC02-05CH11231 Resource Type: Accepted Manuscript Journal Name: ACS Applied Materials and Interfaces Additional Journal Information: Journal Volume: 8 Journal Issue: 48 Journal ID: ISSN 1944-8244 Publisher: American Chemical Society (ACS) Country of Publication: United States Language: English Subject: 14 SOLAR ENERGY 36 MATERIALS SCIENCE alternative buffer layers chalcopyrite thin-film solar cell chemical structure X-ray emission spectroscopy X-ray photoelectron spectroscopy = (CZTS) absorber layers in thin-film photovoltaics. (LBNL), Berkeley, CA (United States) Sponsoring Org.: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. (NREL), Golden, CO (United States) Lawrence Berkeley National Lab. Publication Date: Research Org.: National Renewable Energy Lab. of Nevada, Las Vegas (UNLV), Las Vegas, NV (United States) Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany) Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany) of Nevada, Las Vegas (UNLV), Las Vegas, NV (United States) Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany) Brandenburgische Technische Univ. Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany) Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany).of Nevada, Las Vegas (UNLV), Las Vegas, NV (United States) ![]()
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