Results 81 to 90 of about 32,491 (202)
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
Advanced Materials, EarlyView.This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Advanced Materials, EarlyView.The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela +4 more
wiley +1 more source
Advanced Materials, EarlyView.Template effect and kinetic control enable crystal‐phase engineering of Ru nanocrystals, granting access to either metastable fcc‐Ru or stable hcp‐Ru with distinct surface structures, thermal stabilities, and catalytic behaviors. Moreover, the hcp‐Ru can further serve as an epitaxial template to direct Pd and Rh nanocrystals into the metastable hcp ...
Jianlong He +3 more
wiley +1 more source
Efficient in‐Plane Exciton Transport in a Discontinuous Layered Lead‐Bromide Perovskite
Advanced Materials, EarlyView.A new class of two‐dimensional lead‐bromide perovskite based on monovalent 4‐aminomethylbenzoic acid cations is presented, featuring a discontinuous inorganic layer. Despite the discontinuous lattice, transient photoluminescence microscopy demonstrates efficient though strongly anisotropic in‐plane exciton transport.
Raquel Utrera‐Melero +9 more
wiley +1 more source
Breaking Bottlenecks in Solid Electrolyte Discovery With Large Artificial Intelligence Models
Advanced Materials, EarlyView.Large AI models are presented as a route to break key bottlenecks in solid electrolyte discovery by linking materials databases, machine‐learning interatomic potentials, large language models, and autonomous experiments. This perspective highlights how AI can accelerate the identification of solid electrolytes with fast ion transport, stable interfaces,
Eric Jianfeng Cheng +24 more
wiley +1 more source
Advanced Materials, EarlyView.Alternating oxidative–reductive pulses synchronize CO2‐derived *CO and NH3‐derived *NHx intermediates over dual Cu and Co single‐atom sites, enabling urea and ethyl urea formation with a total C─N Faradaic efficiency of 42 ± 4%. In situ spectroscopy and theoretical calculations elucidate complementary Cu and Co functions, while oxidative controls ...
Putri Ramadhany +8 more
wiley +1 more source
Universal Interatomic Potentials as Configuration-Space Generators for One-Shot and Iterative Fine-Tuning of Ab Initio-Accurate Material-Specific Models. [PDF]
J Phys Chem LettHänseroth J, Flötotto A, Dreßler C.
europepmc +1 more source
Robust Spin Splitting and Fermiology in the Layered Altermagnet CoNb4${\rm CoNb}_4$Se8${\rm Se}_8$
Advanced Materials, EarlyView.The emergence of an altermagnetic phase is demonstrated in the cobalt‐intercalated superconducting 2H‐NbSe2 polymorph. A combined theoretical and experimental approach directly probes the magnetism, the altermagnetic lifting of Kramers degeneracy, and the electronic phase space, establishing CoNb4Se8 as the first g‐wave altermagnetic layered material ...
Alessandro De Vita +47 more
wiley +1 more source
Targeted fine-tuning of machine-learning interatomic potentials for phonons and phase transitions. [PDF]
NPJ Comput MaterGrandel J, Benner P, George J.
europepmc +1 more source
Advanced Materials, EarlyView.Oxidized Nd‐Fe‐B magnet swarf is transformed into valuable bulk feedstock through a single‐step hydrogen plasma process. The reaction converts complex rare‐earth‐containing waste into separated metallic, oxide, and hydride fractions without acid leaching.
Naritai Chimed +9 more
wiley +1 more source