Results 161 to 170 of about 44,109 (287)

Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications

Advanced Science, EarlyView.
We developed a diffusion model–based generative AI and high‐throughput screening framework that accelerates the discovery of photovoltaic ferroelectrics. By coupling AI driven crystal generation with machine learning and DFT screening, we identified Ca3P2 and LiCdP as new ferroelectric materials exhibiting strong polarization, feasible switching ...
Byung Chul Yeo, Hyun‐Jae Lee, Sungwoo Kang, Jung‐Hoon Lee   +3 more
wiley   +1 more source

Two-dimensional lead-free double perovskite ferroelastics with dynamic thermochromism. [PDF]

Chem Sci
Su CY, Yi HG, Ni HF, Du GW, Xia SQ, Liu Z, Zhang ZX, Fu DW.   +7 more
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

Uncovering a stable Cs₂SnGeCl₆-lead-free halide double perovskite for photovoltaics through integrated DFT and SCAPS-1D analysis. [PDF]

RSC Adv
Bendjilali H, Rabhi S, Shimul AI, Sadaf S, Ansari SA, Alam MW.   +5 more
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

Optoelectronic and photovoltaic assessment of Na₂ReAlO₆ double perovskite: insights from DFT and SCAPS modeling. [PDF]

RSC Adv
Kanwal S, Illahi A, Kaleem M, Nasir A, Anis-Ur-Rehman M, Tanzeel M.   +5 more
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

Electronic and optical properties of lead-free K₂AgSbBr₆ double perovskite tuned by doping elements Cu⁺, Bi³⁺, and I⁻. [PDF]

Sci Rep
Benlakhdar F, Ghebouli MA, Fatmi M, Ghebouli B, Alomairy S, Abualreish MJA, Althagafi T, Djerir W.   +7 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

Constructing an S-Scheme Heterojunction of Hematite with an Oxygen-Deficient Double Perovskite Co-Catalyst for Photoelectrochemical Water Splitting. [PDF]

Small
Kim H, Park J, Ghule BG, Kang J, Gyeong SG, Jang JH.   +5 more
europepmc   +1 more source