We report on the high-pressure solid-state synthesis and the detailed structural characterization of the metastable, CuAu-type CuInS2 (CA-CIS) phase. Although often present in CIS thin films as unwanted phase, it has been never synthesized in pure form, and its effect on the performance of CIS-based solar cells has been long debated. In this work, pure CA-CIS phase is synthesized in bulk polycrystalline form through a high-pressure-high-temperature solid-state reaction. Single-crystal X-rays diffraction reveals the formation of tetragonal CA-CIS (a = 3.9324(5), c = 5.4980(7) Å) either in cation-ordered and disordered phase, pointing out the role of the pressure/temperature increase on the Cu/In ordering. The resistivity measurements performed on CA-CIS show low resistivity and a flat trend vs temperature and, in the case of the ordered phase, highlight a bad-metallic behavior, probably due to a high level of doping. These findings clearly rule out the possibility of a beneficial effect of this phase on the CIS-based thin film solar cells. ©

Metastable (CuAu-type) CuInS2Phase: High-Pressure Synthesis and Structure Determination / Delmonte, D.; Mezzadri, F.; Spaggiari, G.; Rampino, S.; Pattini, F.; Bersani, D.; Gilioli, E.. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - 59:16(2020), pp. 11670-11675-11675. [10.1021/acs.inorgchem.0c01531]

Metastable (CuAu-type) CuInS2Phase: High-Pressure Synthesis and Structure Determination

Delmonte D.;Mezzadri F.;Spaggiari G.;Rampino S.;Pattini F.;Bersani D.;
2020

Abstract

We report on the high-pressure solid-state synthesis and the detailed structural characterization of the metastable, CuAu-type CuInS2 (CA-CIS) phase. Although often present in CIS thin films as unwanted phase, it has been never synthesized in pure form, and its effect on the performance of CIS-based solar cells has been long debated. In this work, pure CA-CIS phase is synthesized in bulk polycrystalline form through a high-pressure-high-temperature solid-state reaction. Single-crystal X-rays diffraction reveals the formation of tetragonal CA-CIS (a = 3.9324(5), c = 5.4980(7) Å) either in cation-ordered and disordered phase, pointing out the role of the pressure/temperature increase on the Cu/In ordering. The resistivity measurements performed on CA-CIS show low resistivity and a flat trend vs temperature and, in the case of the ordered phase, highlight a bad-metallic behavior, probably due to a high level of doping. These findings clearly rule out the possibility of a beneficial effect of this phase on the CIS-based thin film solar cells. ©
Metastable (CuAu-type) CuInS2Phase: High-Pressure Synthesis and Structure Determination / Delmonte, D.; Mezzadri, F.; Spaggiari, G.; Rampino, S.; Pattini, F.; Bersani, D.; Gilioli, E.. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - 59:16(2020), pp. 11670-11675-11675. [10.1021/acs.inorgchem.0c01531]
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11381/2880133
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