Results 171 to 180 of about 23,476 (287)

The optoelectronic, mechanical, and thermoelectric properties of novel wide band gap double perovskites: a first-principles study. [PDF]

Sci Rep
Khan MS, Al-Hmoud M, Nabirye S, Aziz SM.
europepmc   +1 more source

Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells

Advanced Science, EarlyView.
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar, Guillaume Lambard, Jessie Manopo, Ruili Guo, Kevin Septioga, Rizfi F. Pari, Toshinori Matsushima, Zhanglin Guo   +7 more
wiley   +1 more source

Comprehensive study of the physical and optoelectronic properties of A₂AgIrF₆ (A = Cs, Rb, and K) double perovskites for energy harvesting applications: a DFT approach. [PDF]

RSC Adv
Rayhan MA, Hossain MM, Uddin MM, Ali MA.
europepmc   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Theoretical exploration of As-based mixed halide double perovskites A₃AsI₆ (A = K, Rb, and Cs) for photovoltaics applications using a DFT approach. [PDF]

RSC Adv
Khan MY, Shah SSA, Lee IE, Wali Q, Usman T, Mu Y, Khan A, Al Souwaileh A.   +7 more
europepmc   +1 more source

Robust and Tailored 1D/3D Heterojunction for Efficient and Stable Perovskite Solar Cells

Advanced Science, EarlyView.
This study successfully established a robust 1D/3D heterojunction, characterized by a stable 1D phase, favorable lattice matching, strong interface binding, and effective defect passivation. The resulting epitaxial perovskite film demonstrates preferential vertical orientation of (100) facets, thereby facilitating carriers’ transport and stress relief.
Wending Hao, Tao Liu, Xu Wang, Luan Li, Ziyu Zhang, Fengqi Sun, Qiang Luo, Ning Wang   +7 more
wiley   +1 more source

Broadband NIR-II Emission with Wide Excitation Range in Cs₂WCl₆ Double Perovskites Utilizing Re⁴⁺ Doping. [PDF]

Nanomaterials (Basel)
Xiao Y, Hu X, Jiang Z, Wu C, Han X.
europepmc   +1 more source

Symmetry‐Driven Unconventional Magnetoelectric Coupling in Perovskite Altermagnets: From Bulk to the Two‐Dimensional Limit

Advanced Science, EarlyView.
The symmetry‐driven coexistence of altermagnetism and (anti)ferroelectricity in perovskites shows a strong dimensional dependence. Upon reducing the system from bulk to the two‐dimensional limit, only C‐type antiferromagnetic order retains ferroelectrically switchable altermagnetism, whereas A‐ and G‐type orders become conventional antiferromagnets ...
Zhou Cui, Ziye Zhu, Xunkai Duan, Bowen Hao, Xianzhang Chen, Jiayong Zhang, Tong Zhou   +6 more
wiley   +1 more source

Understanding the Limitations of Chloride Double Perovskites as Hosts for Stable Cr³⁺ Luminescence. [PDF]

Inorg Chem
Lee KY, Yang HK, Leśniewski T, Kamiński M, Majewska N, Gnyp J, Su WL, Tsai YT, Mahlik S, Fang MH.   +9 more
europepmc   +1 more source

Ferroelectric Devices for In‐Memory and In‐Sensor Computing

Advanced Science, EarlyView.
Inspired by biological systems, in‐memory and in‐sensor computing overcome von Neumann bottlenecks. Ferroelectric devices can mimic synaptic functions and sense stimuli like light or force, therefore are ideal for these paradigms. This review introduces the ferroelectric devices applied for in‐memory and in‐sensor computing, covering their structures ...
Hong Fang, Ronghuan Xie, Qiang Cao, Shishen Yan, Xiaolin Wang, Limei Zheng   +5 more
wiley   +1 more source