scholarly journals Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites

2019 ◽  
Vol 3 (12) ◽  
Author(s):  
Thomas Bischoff ◽  
Julia Wiktor ◽  
Wei Chen ◽  
Alfredo Pasquarello
2014 ◽  
Vol 5 (1) ◽  
Author(s):  
Marina R. Filip ◽  
Giles E. Eperon ◽  
Henry J. Snaith ◽  
Feliciano Giustino

2019 ◽  
Author(s):  
Subhajit Bhattacharjee ◽  
Sonu Pratap Chaudhary ◽  
Sayan Bhattacharyya

<p>Metal halide perovskites with high absorption coefficient, direct generation of free charge carriers, excellent ambipolar charge carrier transport properties, point-defect tolerance, compositional versatility and solution processability are potentially transforming the photovoltaics and optoelectronics industries. However their limited ambient stability, particularly those of iodide perovskites, obscures their use as photocatalysts especially in aqueous medium. In an unprecedented approach we have exploited the photo-absorption property of the less toxic lead-free Cs<sub>3</sub>Bi<sub>2</sub>X<sub>9 </sub>(X = Br, I) nanocrystals (NCs) to catalyse the degradation of water pollutant organic dye, methylene blue (MB) in presence of visible light at room temperature. After providing a proof-of-concept with bromide perovskites in isopropanol, the perovskites are employed as photocatalysts in water medium by designing perovskite/Ag<sub>2</sub>S and perovskite/TiO<sub>2 </sub>composite systems, with Type I (or quasi Type II) and Type II alignments, respectively. Ag<sub>2</sub>S and TiO<sub>2</sub> coatings decelerate penetration of water into the perovskite layer while facilitating charge carrier extraction. With a minimal NC loading, Cs<sub>3</sub>Bi<sub>2</sub>I<sub>9</sub>/Ag<sub>2</sub>S degrades ~90% MB within an hour. Our approach has the potential to unravel the photocatalytic properties of metal halide perovskites for a wide spectrum of real-life applications. </p>


2019 ◽  
Author(s):  
Mykhailo Sytnyk ◽  
Ole Lytken ◽  
Tim Freund ◽  
Wolfgang Heiss ◽  
Christina Harreiss ◽  
...  

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