scholarly journals Strain effects on the optical properties of lead-halide perovskites

2022 ◽  
Author(s):  
◽  
Loreta Angela Muscarella
2021 ◽  
Author(s):  
Xianhao Zhao ◽  
Tianyu Tang ◽  
Quan Xie ◽  
like gao ◽  
Limin Lu ◽  
...  

The cesium lead halide perovskites are regarded as effective candidates for light-absorbing materials in solar cells, which have shown excellent performances in experiments such as promising energy conversion efficiency. In...


2016 ◽  
Vol 45 (3) ◽  
pp. 655-689 ◽  
Author(s):  
Yixin Zhao ◽  
Kai Zhu

This article reviews recent progress on hybrid perovskites including crystal/thin-film synthesis, structural/chemical/electro-optical properties, (opto)electronic applications, and research issues/challenges.


2021 ◽  
Vol 130 (14) ◽  
pp. 143105
Author(s):  
Guangbiao Xiang ◽  
Yanwen Wu ◽  
Xiaona Miao ◽  
Yushuang Li ◽  
Jiancai Leng ◽  
...  

2020 ◽  
Vol 4 (2) ◽  
pp. 1-16
Author(s):  
Muhammad Waqas

Lead halide perovskites have attracted considerable attention as optoelectronic materials because these materials have high photovoltaic conversion efficiency. The current study is based on Density Functional Theory (DFT). This theory was used to calculate the structural, optical, and electronic properties of the lead halide perovskites CsPbX3 (X = Chlorine (Cl), Bromine (Br), Iodine (I)) compounds . In order to calculate the above mentioned properties of cubic perovskites CsPbX3 (X = Cl, Br, I), Full Potential Linear Augmented Plane Wave (FP-LAPW) method was implemented in conjunction with DFT utilizing LDA, GGA-PBE and mBJ approximations. A good agreement was found between experimentally measured values and theoretically calculated lattice constants. These compounds have a direct and wide band gap located at the point of R-symmetry, while the band gap decreases from ‘Cl’ to ‘I’ down the group. The densities of electrons revealed a strong ionic bond between Cs and halides and a strong covalent bond between ‘Pb’ and (Cl, Br, and I). The dielectric functions (reflectivity, refractive indices, absorption coefficients), optical conductivities (real and imaginary part) and other optical properties indicated that these compounds have novel energy harvester applications. The modeling of these perovskite compounds shows that they have high absorption power and direct band gaps in visible ultraviolet range and it also shows that these compounds have potential applications in solar cells.


Author(s):  
Gabriele Saleh ◽  
Giulia Biffi ◽  
Francesco Di Stasio ◽  
Beatriz Martín-García ◽  
Ahmed L. Abdelhady ◽  
...  

2015 ◽  
Vol 137 ◽  
pp. 253-257 ◽  
Author(s):  
Yajie Jiang ◽  
Martin A. Green ◽  
Rui Sheng ◽  
Anita Ho-Baillie

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mohammed Ezzeldien ◽  
Samah Al-Qaisi ◽  
Z. A. Alrowaili ◽  
Meshal Alzaid ◽  
E. Maskar ◽  
...  

AbstractThis work aims to test the effectiveness of newly developed DFT-1/2 functional in calculating the electronic and optical properties of inorganic lead halide perovskites CsPbBr3. Herein, from DFT-1/2 we have obtained the direct band gap of 2.36 eV and 3.82 eV for orthorhombic bulk and 001-surface, respectively. The calculated energy band gap is in qualitative agreement with the experimental findings. The bandgap of ultra-thin film of CsPbBr3 is found to be 3.82 eV, which is more than the expected range 1.23-3.10 eV. However, we have found that the bandgap can be reduced by increasing the surface thickness. Thus, the system under investigation looks promising for optoelectronic and photocatalysis applications, due to the bandgap matching and high optical absorption in UV–Vis (Ultra violet and visible spectrum) range of electro-magnetic(em) radiation.


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