Darsana Sudarsan, Rakesh Ganguly, Apurba Lal Koner
et al.
AbstractCopper‐based halide perovskites have gained considerable interest in optoelectronic applications owing to their outstanding stability and luminescence properties. Herein, 3D structure of Cs3Cu3Cl9 single crystals is developed from the known phase of 0D Cs3Cu2I5 via addition of HCl. The transformed 3D Cs3Cu3Cl9 single crystals exhibit superior material properties such as an optical bandgap of 2.39 eV, and distinct violet emission at 425 nm, making them a potential candidate for ultraviolet (UV) photodetection. The hierarchical FTO/Cs3Cu3Cl9/C heterostructure UV photodetector showed a remarkable responsivity of 0.13 mA W−1 and specific detectivity of 2.20 × 109 Jones under 372 nm UV illumination at zero bias, possessing a better performance than the 0D Cs3Cu2I5 structure. This work brings insight into the transformation from 0D to 3D halide perovskite structure for self‐powered photodetectors via a simple solvent engineering strategy, thereby paving the way for further investigations in various optoelectronic applications.
Abstract In this work, density-functional theory based theoretical investigations of novel and less studied double perovskites Cs 2 InSbX 6 (X = Cl, Br, I) are performed to analyze the structural and electronic behaviors. The electronic structures computed using PBEsol are further subjected to Tran-Blaha modified Becke-Johnson (TB-mBJ) potential, and tuning of the semiconducting direct band gap is observed as 1.77 eV, 1.07 eV and 0.35 eV for Cs 2 InSbX 6 (X = Cl, Br, I), respectively. The structural stability is confirmed from the computed tolerance factors and enthalpy of formation. Thermodynamic stability is also revealed by the computed phonon spectra. The halogen ions based band gap tuning in Cs 2 InSbX 6 (X = Cl, Br, I) show systematic variation of the computed optical parameters against impinging energies. The thermoelectric properties are found consistent with various transport parameters. The narrow band gap Cs 2 InSbI 6 (0.35 eV) results comparatively high power factor. The band gap tuning based variations in the optical and thermoelectric parameters have revealed potential applications in energy absorption and conversion devices, respectively.
Evgeny V. Nazarchuk, Oleg I. Siidra, Sergey V. Krivovichev
AbstractLemon‐yellow transparent needles of Cs2(UO2)(NO3)Cl3 are hydrothermally synthesized from a mixture of CsCl, UO2(NO3)2, NaOH, and H2O (autoclave, pH 10, 205 °C, 96 h).
Xiaohui Liu, Manfred Speldrich, Paul Koegerler
et al.
AbstractThe new two‐dimensional compounds (III) are characterized by single crystal XRD, FT‐IR and UV/VIS spectroscopy, magnetic measurements, and DFT calculations.
AbstractCs3Bi2Cl9 tritt zwischen Raumtemperatur und dem Schmelzpunkt (≈595°C) in zwei enantiotropen Formen (I, II)auf, die sich in der Stapelfolge der „CsCl3‐Schichten”︁ und in der Besetzung der „Oktaederlücken”︁ durch Bi3+ unterscheiden. Es wird ein Mechanismus für die Phasenumwandlung (Tt = 373°C) vorgeschlagen und die Anisotropie der thermischen Ausdehnung bestimmt.
AbstractDie Titelverbindungen werden nach bereits beschriebenen und hier nur kurz skizzierten Verfahren dargestellt, wobei von In2PrCl5, Rb2PrCl5, KZPrBrS und KZPrIS Einkristalle, von den übrigen AzMxs‐Verbindungen Pulverproben erhalten werden, die röntgenographisch untersucht werden.
Abstract The α-type CS3Sb2Cl9 crystal is trigonal, with unit-coll dimensions a = 7.633, c = 9.345 Å, Z = 1, and space group P321. The atomic arrangement is essentially based on closest packing of cesium and chlorine; embedded in this environment are SbCl3 molecules with bond angle 94°58′ and distances Sb–Cl = 2.42 Å, Cl–Cl = 3.56 Å. This arrangement is similar to that of CS3AS2Cl9.