Results 211 to 220 of about 5,257,326 (287)

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

open access: yesAdvanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi   +3 more
wiley   +1 more source

Pyridinium Cations Act as Charge Reservoirs in Expanded Halide Perovskite Analogs at High Pressure

open access: yesAngewandte Chemie, EarlyView.
Redox‐innocent pyridinium derivatives can act as charge reservoirs in expanded tin‐iodide perovskite analogs. Material compression reduces the energy gap between the pyridinium π* acceptor orbital and the valence‐band maximum, facilitating electron transfer from the framework to the molecules and thereby significantly increasing electronic conductivity
Christina R. Deschene   +7 more
wiley   +2 more sources

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

open access: yesAdvanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Molecularly Templated Buried Interfaces for Inverted Perovskite Solar Cells

open access: yesAngewandte Chemie, EarlyView.
We demonstrate a molecularly matched buried interface between SAM and perovskite, enhancing adhesion and passivating defects. This optimized interface achieves 26.58% power conversion efficiency and 86.72% fill factor with exceptional operational stability in both large‐area and wide‐bandgap devices, thereby increasing efficiency and prolonging ...
Songyang Yuan   +19 more
wiley   +2 more sources

Polymerized Surface Passivation for Stable and Efficient Inverted Perovskite Solar Cells. [PDF]

open access: yesAdv Mater
Zhao W   +15 more
europepmc   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

open access: yesAdvanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal   +3 more
wiley   +1 more source

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