Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory

Zhou

Part. Part. Syst. Charact.

et al. 2015

Copper antimony sulfide (CAS) is an attractive material with a suitable bandgap for sunlight absorption and a high absorption coefficient in solar cells. There are few works focused on the size‐controllable synthesis of CAS nanocrystals, and no work reports on the special character of bandgap tunability until now. Herein, high‐quality monodispersed tetrahedrite (Cu12Sb4S13) nanocrystals are synthesized through a novel solution‐based method by using thiols as ligands. The as‐prepared Cu12Sb4S13 nanocrystals have a narrow size distribution and wide size range from 2 to 16 nm, while their absorption band edges are continuously tunable from 620 to 780 nm. The quantum size effects with bandgap tunability of Cu12Sb4S13 nanocrystals are observed for the first time.

Section: Introductionsupporting

confidence: 81%

Size-Dependent Synthesis of Cu₁₂Sb₄S₁₃Nanocrystals with Bandgap Tunability

Zhou

Part. Part. Syst. Charact.

et al. 2015

Surface and Coatings Technology

“…In another report, Cu3SbS3 thin films prepared by chalcogenization of Cu-Sb precursors have been reported with an optical band gap of 1.84 eV [27]. In a theoretical study, direct band gap energy of the Cu3SbS3 thin films was reported to be 2.14 eV [28]. Although the reported studies point to the appropriateness of the Cu3SbS3 for solar cell absorber layer, the disparity among different studies is obvious from the reported data.…”

Section: Introductionmentioning

confidence: 54%

Characterization of Cu3SbS3 thin films grown by thermally diffusing Cu2S and Sb2S3 layers

Hussain

Ahmed

Ali

et al. 2017

Copper antimony sulphide (Cu3SbS3) with a p-type conductivity and optical band gaps in the range of 1.38 to 1.84 eV is considered to be a promising solar harvesting material with non-toxic and economical elements. In this study, we reported the fabrication of Cu3SbS3 thin films using successive thermal evaporation of Cu2S and Sb2S3 layers followed by annealing in an argon atmosphere at a temperature range of 300-375°C. The structural and optical properties of the asdeposited and annealed films were investigated. The annealed films notably show the crystalline phase of the Cu3SbS3, identified from the X-ray diffraction analysis and endorsed by the Raman analysis as well. Whereas their chemical state of the constituent elements was characterized with X-ray photoelectron spectroscopy. The measured highest resistivity of the annealed film was found to be ~0.2 Ω-cm. Hence, our obtained results for the fabricated Cu3SbS3 thin films bring to light that Cu3SbS3would be a good absorber layer in solar cells due to their low resistivity, a higher value of the optical absorption coefficient (~10 5 cm -1 ), the low transmittance (<5%) and an optical direct band gap of 1.6 eV in the visible range of the solar spectrum.

“…Cu 3 SbS 3 with the wittichenite structure (P2 1 2 1 2 1 space group), has a computed HSE gap of 2.02 (indirect) and 2.14 (direct), and nanowires have been reported with an experimental optical gap of 2.95 eV. 311 This material has been doped with O S to raise the gap. A screening of antimony based thermoelectric sulfides computed Li 3 SbS 3 , Na 3 SbS 3 , and Ca 2 Sb 2 S 5 to have gaps of 2.96 eV, 3.14 eV and 2.11 eV, respectively, and low hole effective masses (not reported).…”

Section: A 2 B 3 Ch 4 and Dimensional Reductionmentioning

confidence: 99%

Wide Band Gap Chalcogenide Semiconductors

et al. 2020

Wide band gap semiconductors are essential for today's electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories of materials that can be defined as wide band gap semiconductors. The most intensively investigated are transparent conductive oxides (TCOs) such as tin-doped indium oxide (ITO) and amorphous In-Ga-Zn-O (IGZO) used in displays, carbides (e.g. SiC) and nitrides (e.g. GaN) used in power electronics, as well as emerging halides (e.g. g-CuI) and 2D electronic materials (e.g. graphene) used in various optoelectronic devices. Compared to these prominent materials families, chalcogen-based (Ch = S, Se, Te) wide band gap semiconductors are less heavily investigated but stand out due to their propensity for ptype doping, high mobilities, high valence band positions (i.e. low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide band gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent conductors, as well as the theoretical and experimental underpinnings of the corresponding research methods. We proceed to summarize progress in wide band gap (E G > 2 eV) chalcogenide materials, such as II-VI MCh binaries, CuMCh 2 chalcopyrites, Cu 3 MCh 4 sulvanites, mixed anion layered CuMCh(O,F), and 2D materials, among others, and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. We finally review applications of chalcogenide wide band gap semiconductors, e.g. photovoltaic and photoelectrochemical solar cells, transparent transistors, and light emitting diodes, that employ wide band gap chalcogenides as either an active or passive layer. By examining, categorizing, and discussing prospective directions in wide band gap chalcogenides, this review aims to inspire continued research on this emerging class of transparent conductors and to enable future innovations for optoelectronic devices.