scholarly journals The effect of the halide anion on the optical properties of lead halide perovskites

2019 ◽  
Vol 195 ◽  
pp. 269-273 ◽  
Author(s):  
César Tablero Crespo
Keyword(s):  
Optical Properties ◽  
Halide Anion ◽  
Halide Perovskites ◽  
Lead Halide

First-principles study on the electronic and optical properties of the orthorhombic CsPbBr3 and CsPbI3 with Cmcm space group

2021 ◽  
Author(s):  
Xianhao Zhao ◽  
Tianyu Tang ◽  
Quan Xie ◽  
like gao ◽  
Limin Lu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solar Cells ◽  
Energy Conversion ◽  
Conversion Efficiency ◽  
First Principles ◽  
Energy Conversion Efficiency ◽  
Space Group ◽  
Absorbing Materials ◽  
Halide Perovskites ◽  
Lead Halide

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...

Organic–inorganic hybrid lead halide perovskites for optoelectronic and electronic applications

2016 ◽  
Vol 45 (3) ◽  
pp. 655-689 ◽  
Author(s):  
Yixin Zhao ◽  
Kai Zhu
Keyword(s):  
Thin Film ◽  
Optical Properties ◽  
Recent Progress ◽  
Research Issues ◽  
Inorganic Hybrid ◽  
Halide Perovskites ◽  
Film Synthesis ◽  
Lead Halide

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.

Effects of many-body interactions on the transient optical properties of lead halide perovskites

2021 ◽  
Vol 130 (14) ◽  
pp. 143105
Author(s):  
Guangbiao Xiang ◽  
Yanwen Wu ◽  
Xiaona Miao ◽  
Yushuang Li ◽  
Jiancai Leng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Many Body ◽  
Halide Perovskites ◽  
Many Body Interactions ◽  
Lead Halide

scholarly journals Synthetic Variation and Structural Trends in Layered Two-Dimensional Alkylammonium Lead Halide Perovskites

2019 ◽  
Author(s):  
Watcharaphol Paritmongkol ◽  
Nabeel Dahod ◽  
Nannan Mao ◽  
Shao-Liang Zheng ◽  
William Tisdale
Keyword(s):  
Crystal Structures ◽  
Periodic Variation ◽  
Two Dimensional ◽  
Halide Anion ◽  
Structural Distortions ◽  
Spacer Layer ◽  
Halide Perovskites ◽  
Spacer Chain Length ◽  
A Site ◽  
Lead Halide

We report the cooling-induced crystallization of layered two-dimensional lead halide perovskites with controllable inorganic quantum-well thickness (<i>n</i> = 1, 2, 3, 4)<i>,</i> organic spacer chain length (butyl-, pentyl-, hexylammonium), A-site cation (methylammonium, formamidinium), and halide anion (iodide, bromide). We report crystal structures for the iodide family as a function of these compositional parameters, and across their temperature dependent phase transitions. In general, lower symmetry crystal structures, increasing extents of organic-spacer interdigitation, and increasing organic-spacer corrugation tilts are observed at low temperature. In addition, greater structural distortions are seen in lead halide octahedra closest to the organic spacer layer, and larger-<i>n­ </i>structures exhibit periodic variation in Pb-I bond lengths. We also provide detailed guidance regarding the combination of synthetic parameters needed to achieve phase-pure crystals of each composition, and discuss difficulties encountered when trying to synthesize particular members of the 2D perovskite family containing formamidinium or cesium as the A-site cation. These results provide a foundation for understanding structural trends in 2D lead halide perovskites and the effect these trends have on their thermal, electrical, and optical properties.

First-Principle Study of the Structural, Electronic, and Optical Properties of Cubic Cesium Lead Halide Perovskites for Photovoltaic System

2020 ◽  
Vol 4 (2) ◽  
pp. 1-16
Author(s):  
Muhammad Waqas
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Density Functional ◽  
Covalent Bond ◽  
Wide Band ◽  
Photovoltaic System ◽  
Full Potential ◽  
Potential Applications ◽  
Halide Perovskites ◽  
Lead Halide

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.

Methylammonium Governs Structural and Optical Properties of Hybrid Lead Halide Perovskites through Dynamic Hydrogen Bonding

2021 ◽  
Author(s):  
Gabriele Saleh ◽  
Giulia Biffi ◽  
Francesco Di Stasio ◽  
Beatriz Martín-García ◽  
Ahmed L. Abdelhady ◽  
...  
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonding ◽  
Structural And Optical Properties ◽  
Halide Perovskites ◽  
Lead Halide

Room temperature optical properties of organic–inorganic lead halide perovskites

2015 ◽  
Vol 137 ◽  
pp. 253-257 ◽  
Author(s):  
Yajie Jiang ◽  
Martin A. Green ◽  
Rui Sheng ◽  
Anita Ho-Baillie
Keyword(s):  
Optical Properties ◽  
Room Temperature ◽  
Inorganic Lead ◽  
Halide Perovskites ◽  
Lead Halide

scholarly journals Electronic and optical properties of bulk and surface of CsPbBr3 inorganic halide perovskite a first principles DFT 1/2 approach

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mohammed Ezzeldien ◽  
Samah Al-Qaisi ◽  
Z. A. Alrowaili ◽  
Meshal Alzaid ◽  
E. Maskar ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Visible Spectrum ◽  
Ultra Violet ◽  
Electronic And Optical Properties ◽  
Direct Band ◽  
Halide Perovskites ◽  
Electro Magnetic ◽  
Experimental Findings ◽  
Lead Halide

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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