Results 1 to 10 of about 23,327 (142)

Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites [PDF]

Advanced Science
Double perovskites (ABC2D6) are versatile materials with applications in photovoltaics, optoelectronics, and thermoelectrics, where phonon‐mediated thermal transport is critical.
Md Zaibul Anam, Alejandro Rodriguez, Riccardo Rurali, Ming Hu   +3 more
doaj   +2 more sources

The study of new double perovskites K2AgAsX6 (X = Cl, Br) for energy-based applications

Journal of Taibah University for Science, 2023
Halide double perovskites are the best alternative to Pb-halide perovskites. These materials play an important role in renewable energy generation. Therefore, we explore the physical properties of K2AgAsX6 (X = Cl, Br) double halide perovskites using ...
Malak Azmat Ali, Razan A. Alshgari, Aboud Ahmed Awadh Bahajjaj, Mika Sillanpää   +3 more
doaj   +3 more sources

Investigation of double perovskites Sr2SmNbO6 and X2CoNbO6 (X=Sr,Ba) with SCAN functional and plus U correction

Advanced Powder Materials, 2022
The double perovskites Sr2SmNbO6, Sr2CoNbO6 and Ba2CoNbO6 were investigated with first principles computations based on the density functional theory and plus U treatment.
Ying Zeng, Qingdan Hu, Min Pan, Kun Zhang, Salvatore Grasso, Chunfeng Hu, Qingguo Feng   +6 more
doaj   +3 more sources

A Review on Cs-Based Pb-Free Double Halide Perovskites: From Theoretical and Experimental Studies to Doping and Applications

Molecules, 2021
Despite the progressive enhancement in the flexibility of Pb-based perovskites for optoelectronic applications, regrettably, they are facing two main challenges; (1) instability, which originates from using organic components in the perovskite structure,
Fatemeh Heidari Gourji, Dhayalan Velauthapillai   +1 more
doaj   +3 more sources

Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead‐Free Halide Double Perovskites [PDF]

Advanced Science
Lead‐free halide double perovskites provide a promising solution for the long‐standing issues of lead‐containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high‐intensity illumination.
Guang Wang, Jiongzhi Zheng, Jie Xue, Yixin Xu, Qiye Zheng, Geoffroy Hautier, Haipeng Lu, Yanguang Zhou   +7 more
doaj   +2 more sources

Impact of halide variation on the optoelectronic properties of double perovskites [PDF]

Scientific Reports
Halide double perovskites of $$A_{2}B(I)B(III)X_{6}$$ (A = Cs, B(I) = Ag, B(III) = Bi, and X = Cl, Br) have gained a lot of attention as an alternative to lead perovskites due to their similar defect tolerance, low toxicity, high stability, high ...
Deepak Choudhary, Mandeep Kaur, Govind Sharma, Rahul Palsaniya, Swarnkesh Loyalka, Satpal Singh, Updesh Verma, Prashant Yadav, Manendra   +8 more
doaj   +2 more sources

Computational screening of Cs based vacancy‐ordered double perovskites for solar cell and photocatalysis applications

EcoMat, 2023
The toxicity of lead ions in halide perovskite absorbing materials is the main bottleneck for practical application. To replace the traditional lead halide perovskites by environmental friendly double perovskite, computational tools based on density ...
Xinyu Ye, Anmin Liu, Liguo Gao, Chu Zhang, Lijing Yan, Shizheng Wen, Tingli Ma   +6 more
doaj   +1 more source

Advancements in visible-light-driven double perovskite nanoparticles for photodegradation

Micro and Nano Systems Letters, 2023
Perovskites are of significant interest in the field of photocatalysis. To date, many perovskite nanostructures have been developed, and their applications in photocatalysis have been studied.
Runia Jana, P. Mary Rajaitha, Sugato Hajra, Hoe Joon Kim   +3 more
doaj   +1 more source

Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M = Mn, Co, Ni) for spintronic applications

Scientific Reports, 2023
The structural stability, optoelectronic and magnetic characteristics of K2NaMI6 (M = Mn, Co, and Ni) halide double perovskites have been demonstrated to be explained using density functional theory computations.
Danish Abdullah, Dinesh C. Gupta
doaj   +1 more source

Electrochemical Energy Storage Properties of Sm2FeCuO6 Double Perovskite Synthesized via Sol-Gel Route

ECS Advances, 2023
The rare Earth-based double perovskites have been widely studied due to their exceptional physical properties and wide range of technological applications.
Manju Devi, Irina Rogge, Jashandeep Singh, Amit L. Sharma, Ashavani Kumar, Ashok Kumar   +5 more
doaj   +1 more source