Screening for lead-free inorganic double perovskites with suitable band gaps and high stability using combined machine learning and DFT calculation

2021 ◽  
pp. 150916
Author(s):  
Zhengyang Gao ◽  
Hanwen Zhang ◽  
Guangyang Mao ◽  
Jianuo Ren ◽  
Ziheng Chen ◽  
...  
Keyword(s):  
Machine Learning ◽  
High Stability ◽  
Dft Calculation ◽  
Band Gaps ◽  
Lead Free ◽  
Double Perovskites

Stable lead-free Te-based double perovskites with tunable band gaps: a first-principles study

2019 ◽  
Vol 43 (37) ◽  
pp. 14892-14897 ◽  
Author(s):  
Diwen Liu ◽  
Qiaohong Li ◽  
Zhang Zhang ◽  
Kechen Wu
Keyword(s):  
First Principles ◽  
Environmentally Friendly ◽  
Band Gaps ◽  
Lead Free ◽  
Double Perovskites ◽  
First Principles Study ◽  
Light Absorber

Lead-free hybrid perovskites have attracted great attention as environmentally friendly light absorber layers.

Piperidine-induced Switching of the direct band gaps of Ag(i)/Bi(iii) bimetallic iodide double perovskites

2020 ◽  
Vol 8 (16) ◽  
pp. 5349-5354 ◽  
Author(s):  
Mohamed Saber Lassoued ◽  
Le-Yu Bi ◽  
Zhaoxin Wu ◽  
Guijiang Zhou ◽  
Yan-Zhen Zheng
Keyword(s):  
Band Gaps ◽  
Lead Free ◽  
Double Perovskites ◽  
High Moisture ◽  
Direct Band ◽  
Moisture Stability

Here, we report two silver(i)–bismuth(iii)-based layered lead-free double perovskites with direct band gaps and high moisture stability.

Advances in lead-free double perovskite nanocrystals, engineering band-gaps and enhancing stability through composition tunability

Nanoscale ◽  
2019 ◽  
Vol 11 (18) ◽  
pp. 8665-8679 ◽  
Author(s):  
Sasha Khalfin ◽  
Yehonadav Bekenstein
Keyword(s):  
Electronic Structure ◽  
Double Perovskite ◽  
Band Gaps ◽  
Model Systems ◽  
Lead Free ◽  
Double Perovskites ◽  
Perovskite Nanocrystals ◽  
Topical Review ◽  
Cationic Exchange ◽  
Made In

In this topical review, we have focused on the recent advances made in the studies of lead-free perovskites in the bulk form and as nanocrystals. We highlight how nanocrystals can serve as model systems to explore the schemes of cationic exchange, doping and alloying for engineering the electronic structure of double perovskites.

scholarly journals Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment

2016 ◽  
Vol 7 (13) ◽  
pp. 2579-2585 ◽  
Author(s):  
Marina R. Filip ◽  
Samuel Hillman ◽  
Amir Abbas Haghighirad ◽  
Henry J. Snaith ◽  
Feliciano Giustino
Keyword(s):  
Band Gaps ◽  
Lead Free ◽  
Double Perovskites ◽  
Theory And Experiment

scholarly journals Machine learning for perovskite materials design and discovery

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Qiuling Tao ◽  
Pengcheng Xu ◽  
Minjie Li ◽  
Wencong Lu
Keyword(s):  
Machine Learning ◽  
Technological Innovation ◽  
Future Development ◽  
Rational Design ◽  
Driving Forces ◽  
Scientific Progress ◽  
Double Perovskites ◽  
Perovskite Materials ◽  
Development Tendency ◽  
Development Prospects

AbstractThe development of materials is one of the driving forces to accelerate modern scientific progress and technological innovation. Machine learning (ML) technology is rapidly developed in many fields and opening blueprints for the discovery and rational design of materials. In this review, we retrospected the latest applications of ML in assisting perovskites discovery. First, the development tendency of ML in perovskite materials publications in recent years was organized and analyzed. Second, the workflow of ML in perovskites discovery was introduced. Then the applications of ML in various properties of inorganic perovskites, hybrid organic–inorganic perovskites and double perovskites were briefly reviewed. In the end, we put forward suggestions on the future development prospects of ML in the field of perovskite materials.

Machine-learning-assisted prediction of magnetic double perovskites

2019 ◽  
Vol 3 (8) ◽  
Author(s):  
Anita Halder ◽  
Aishwaryo Ghosh ◽  
Tanusri Saha Dasgupta
Keyword(s):  
Machine Learning ◽  
Double Perovskites

First-principles study of lead-free double perovskites Rb2TeX6 (X = Cl, Br, and I) for solar cells and renewable energy

2021 ◽  
Vol 266 ◽  
pp. 115064
Author(s):  
Q. Mahmood ◽  
M.H. Alhossainy ◽  
M.S. Rashid ◽  
Tahani H. Flemban ◽  
Hind Althib ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Solar Cells ◽  
First Principles ◽  
Lead Free ◽  
Double Perovskites ◽  
First Principles Study

New lead‐free double perovskites X 2 GeI 6 (X = K, Rb, Cs) for solar cells, and renewable energy as an alternate of hybrid perovskites

2021 ◽  
Author(s):  
Tahani I. Al‐Muhimeed ◽  
Aamar Shafique ◽  
Abeer A. AlObaid ◽  
Manal Morsi ◽  
Ghazanfar Nazir ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Solar Cells ◽  
Lead Free ◽  
Double Perovskites

High-Stability Flexible X-ray Detectors Based on Lead-Free Halide Perovskite Cs2TeI6 Films

2021 ◽  
Author(s):  
Jun Guo ◽  
Yadong Xu ◽  
Wenhui Yang ◽  
Bao Xiao ◽  
Qihao Sun ◽  
...  
Keyword(s):  
High Stability ◽  
Lead Free ◽  
X Ray ◽  
Halide Perovskite
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