Results 211 to 220 of about 44,689 (306)

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

open access: yesAdvanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald   +7 more
wiley   +1 more source

Advancing Lithium–Oxygen Batteries: Pioneering Cathode Catalyst Innovation and Artificial Intelligence‐Driven Design Paradigms

open access: yesAdvanced Materials, EarlyView.
This review summarizes the principles and challenges of nonaqueous lithium‐oxygen batteries and recent advances in cathode catalysts, including carbon‐based materials, metals, oxides, sulfides, nitrides, carbides, and redox mediators. It highlights emerging design strategies and artificial intelligence‐driven approaches, emphasizing data‐assisted ...
Yuqing Yao   +8 more
wiley   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Transient Laser‐Shocked Synthesis of Amorphous Layer‐Supported Metal Nanocrystals for Efficient Nitrate Reduction

open access: yesAdvanced Materials, EarlyView.
A general, versatile laser‐shock synthesis process is reported to produce various bimetallic CuNi, CuFe, CuCo, and medium‐entropy CuFeCoNi heterostructures, in which crystalline metal nanoparticles are anchored to amorphous hydroxide supports. During nitrate reduction reaction, the heterostructures undergo dynamic amorphous/crystalline reconstruction ...
Weihua Guo   +18 more
wiley   +1 more source

Phase Diagrams Enable Solid‐State Battery Design

open access: yesAdvanced Materials Interfaces, EarlyView.
Batteries are non‐equilibrium devices with inherent thermodynamic driving forces to react at interfaces, regardless of kinetics or operating conditions. Chemical potential mismatches across interfaces are dissipated via interfacial reactions. In this work, it is illustrated how phase diagrams and chemical potential maps predict degradation pathways but
Nathaniel L. Skeele, Matthias T. Agne
wiley   +1 more source

Home - About - Disclaimer - Privacy