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DOE OSTI2020

Materials Data on SbCl3 by Materials Project

SbCl3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four antimony trichloride molecules. Sb3+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are one shorter (2.37 Å) and two longer (2.41 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Antimony Chloride Treatments of CdTe-Based Solar Cells

Development of a new SbCl3-based solution treatment for chloride activation of CdTe-based solar cells is described. Activation was confirmed with CdSeTe:Sb devices exhibiting VOC > 550 mV and JSC > 25 mAcm-2. Treatment optimization showed strong effects of annealing time and temperature on cell properties. Material characterization indicated surface conversion of CdSeTe to CdCl2 and Sb2Te3 with SbCl3 treatment. However, no reaction products were formed with treatment under inert conditions, which was coupled with poor device performance. Drying the SbCl3 films at controlled humidity conditions confirmed that exposure to high relative humidity is critical for CdSeTe activation, through hydrolysis of SbCl3. Mechanistic details of SbCl3 speciation during hydrolysis and annealing to activate CdSeTe are discussed.

14 SOLAR ENERGY↗

DOE OSTI2026

Forming Gas Annealing Improves the Performance of Ex Situ Sb-Doped CdSeTe Thin-Film Solar Cells

Group V doping in cadmium-selenide-telluride (CdSeTe) polycrystalline thin-film solar cells has demonstrated improved power conversion efficiencies (PCEs) and long-term stabilities as compared to the traditional Cu doping in the last decade. The dopants can be successfully incorporated by either in situ or ex situ doping. Here, we report that forming gas (FG) annealing enhances the efficiencies of CdSeTe polycrystalline thin-film solar cells utilizing ex situ antimony (Sb) doping via close-space sublimation of SbCl3 at ambient pressure. The FG annealing increases the hole density and carrier lifetime, reduces the back barrier height, and, therefore, leads to improved open-circuit voltages (VOCs) and fill factors (FFs). The champion device achieves a PCE of 19.2% with a VOC of 877 mV, a current density (JSC) of 30.2 mA/cm2, and an FF of 72.4%. Importantly, the Sb-doped devices showed improved stability under stress tests as compared to Cu-doped devices.

14 SOLAR ENERGY↗

DOE OSTI2020

Materials Data on SbS8Cl3 by Materials Project

SbCl3(S)8 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two antimony trichloride molecules and two octasulfur molecules.

36 MATERIALS SCIENCE↗