Enhancing the Optical Properties of MAPbI<sub>3</sub> Perovskites Passivated with Coordinating and Hydrogen Bond Donor Ligands. [PDF]
Gamarde M +5 more
europepmc +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
Shifting Defect Self-Regulation via Disordered Vacancies in Hollow Tin Perovskites. [PDF]
Peters AN +4 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
Ultralow-Barrier Antiferroelectric-Ferroelectric Transition Enabled by Competing Polar Distortion in Two-Dimensional Ruddlesden-Popper Nitride Perovskites. [PDF]
Lin S, Lei Q, Yin J.
europepmc +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
Spin polarized first principles study of electro-magnetic and optical properties of K<sub>2</sub>NaXI<sub>6</sub> (X :Cr Fe) double halide perovskites. [PDF]
Abdullah D +4 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
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

