Results 151 to 160 of about 38,014 (298)

Alkyne‐Based Dual‐Function Self‐Assembled Monolayers for Efficient and Stable p‐i‐n Perovskite Solar Cells

open access: yesAngewandte Chemie, EarlyView.
A novel molecular design strategy is employed to modify the D–A type SAM using an alkyne linker. Incorporation of the alkyne linker enhanced π‐electron delocalization, facilitating more efficient hole transfer, and strengthened interfacial bonding, thereby improving device stability. As a result, the perovskite solar cells achieved an impressive PCE of
Ziyang Xia   +8 more
wiley   +2 more sources

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

Boron‐Doping of a Macrocyclic Tetrafuran Framework Unveils an Expanded Porphyrinoid With Switchable (Anti)Aromaticity and Conformational Dynamics

open access: yesAngewandte Chemie, EarlyView.
We disclose a novel boron macrocycle derived from the sustainable furan building block. The boraporphyrinoid exhibits a global antiaromatic ring current and dynamic conformational flexibility. Twofold reduction induces a switch to strong global aromaticity, accompanied by stiffening of the porphyrinoid backbone.
Lukas Swoboda   +6 more
wiley   +2 more sources

Synthesis, optical and electrochemical properties of 4,4'-bibenzo[c]thiophene derivatives. [PDF]

open access: yesRSC Adv, 2021
Obayashi K   +8 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia   +1 more
wiley   +1 more source

Intermolecular Electrophilic Germylation Using GeCl4 and Al2Cl6

open access: yesAngewandte Chemie, EarlyView.
While electrophilic aromatic substitution is well‐established for carbon and silicon‐based electrophiles, it is extremely underdeveloped for germanium. Herein we report the first effective intermolecular Germa–Friedel–Crafts reaction. The process can be modified to enable selective synthesis of the mono‐ or the di‐aryl germane derivatives, ArGeCl3 and ...
Justyna Łosiewicz   +4 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

Home - About - Disclaimer - Privacy