In this manuscript, the inorganic perovskite CsPbIBr is investigated as a photovoltaic material that offers higher stability than the organic-inorganic hybrid perovskite materials. It is demonstrated that CsPbIBr does not irreversibly degrade to its component salts as in the case of methylammonium lead iodide but instead is induced (by water vapor) to transform from its metastable brown cubic (1.92 eV band gap) phase to a yellow phase having a higher band gap (2.85 eV). This is easily reversed by heating to 350 °C in a dry environment. Similarly, exposure of unencapsulated photovoltaic devices to water vapor causes current (J) loss as the absorber transforms to its more transparent (yellow) form, but this is also reversible by moderate heating, with over 100% recovery of the original device performance. NMR and thermal analysis show that the high band gap yellow phase does not contain detectable levels of water, implying that water induces the transformation but is not incorporated as a major component. Performances of devices with best efficiencies of 9.08% (V = 1.05 V, J = 12.7 mA cm and FF = 68.4%) using a device structure comprising glass/ITO/c-TiO/CsPbIBr/Spiro-OMeTAD/Au are presented, and further results demonstrating the dependence of the performance on the preparation temperature of the solution processed CsPbIBr films are shown. We conclude that encapsulation of CsPbIBr to exclude water vapor should be sufficient to stabilize the cubic brown phase, making the material of interest for use in practical PV devices.

Antimony selenide (Sb 2 Se 3) is an emerging chalcogenide photovoltaic absorber material that has been the subject of increasing interest in recent years, demonstrating rapid efficiency increases with a material that is simple, abundant, and stable. This paper examines the material from both a theoretical and practical standpoint. The theoretical viability of Sb 2 Se 3 as a solar photovoltaic material is assessed and the maximum spectroscopically limited performance is estimated, with a 200 nm film expected to be capable of achieving a photon conversion efficiency of up to 28.2%. By adapting an existing CdTe close-spaced sublimation (CSS) process, Sb 2 Se 3 material with large rhubarb-like grains is produced and solar cells are fabricated. We show that the established CdS window layer is unsuitable for use with CSS, due to intermixing during higher temperature processing. Substituting CdS with the more stable TiO 2 , a power conversion efficiency of 5.5% and an open-circuit voltage V o c of 0.45 V are achieved; the voltage exceeding current champion devices. This paper demonstrates the potential of CSS for scalable Sb 2 Se 3 deposition and highlights the Manuscript

The carrier-type of the emerging photovoltaic Sb2Se3 was evaluated for both thin films and bulk crystals via a range of complementary techniques. X-ray photoelectron spectroscopy (XPS), hot probe, Hall effect, and surface photovoltage spectroscopy showed films and crystals synthesized from the Sb2Se3 granulate material to be n-type with chlorine identified as an unintentional n-type dopant via secondary ion mass spectrometry analysis. The validity of chlorine as a dopant was confirmed by the synthesis of intrinsic crystals from metallic precursors and subsequent deliberate n-type doping by the addition of MgCl2. Chlorine was also shown to be a substitutional n-type shallow dopant by density functional theory calculations. TiO2/Sb2Se3 n–n isotype heterojunction solar cells with 7.3% efficiency are subsequently demonstrated, with band alignment analyzed via XPS.