Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications
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 +3 more
wiley +1 more source
Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells
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 +7 more
wiley +1 more source
Friction-differentiated separation of alkali ions through two-dimensional nanochannels based on niobate perovskite. [PDF]
Ai X +10 more
europepmc +1 more source
Abstract The accurate detection of glucose in wound exudate is critically important for monitoring chronic wound healing. While photoelectrochemical (PEC) sensors are widely used, they often suffer from material degradation caused by redox reactions during operation. Herein, we introduce a dark‐field microscopy (DFM) setup integrated with a PEC system,
Zihao Zhang +7 more
wiley +1 more source
Species Dependent Toxicity Comparison Outcome
By quantitatively assessing and comparing toxicity responses across different animal species and material compositions, our data reveal that toxicity rankings among different materials may be reversed across species. ABSTRACT Toxicity comparison plays a crucial role in material selection across diverse application fields.
Lian Xiao +7 more
wiley +1 more source
Regulating perovskite crystallization kinetics at laser scribe lines for efficient and stable perovskite modules. [PDF]
Xie Y +8 more
europepmc +1 more source
Acceptor and isovalent co‐doping effects on hydration in BaZrO3 proton conductors are systematically investigated using first‐principles calculations. Acceptors enhance hydration by modulating oxygen vacancy formation, whereas isovalent dopants enhance hydration by stabilizing protons via increased A‐site cation–proton distances.
Yonghun Shin +4 more
wiley +1 more source
In-situ formation of oriented perovskite nanosheets with tailored optical dipoles enabling >30% EQE in pure-red LEDs. [PDF]
Liu S +17 more
europepmc +1 more source
Polymorphic Superparaelectric Engineering Boosting Energy Storage Capacity in BaTiO3‐Based Ceramics
Herein, Ca2+ incorporation promotes the coexistence of CaTiO3‐/BaTiO3‐derived paraferroelectric states, stabilizing cubic‐orthorhombic‐tetragonal polymorphic superparaelectric phases. This minimizes polarization energy barriers, facilitating full polarization saturation without compromising efficiency.
Pan Liu +9 more
wiley +1 more source
Thiol-bearing Tertiary Alkylammonium Chloride for Regulation of PbI<sub>2</sub> Excess in FAPbI<sub>3</sub> Perovskite Solar Cells. [PDF]
Orfanoudakis S +6 more
europepmc +1 more source

