Results 221 to 230 of about 5,836,105 (292)

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

An X‑Shaped Chiral Non‑Fullerene n‐Type Semiconductor: Application in Perovskite Solar Cells and Chirality‑Induced Spin Selectivity

open access: yesAngewandte Chemie, EarlyView.
A highly electron‑accepting derivative of cyclobisbiphenylenecarbonyl (CBBC‐TIC) is reported. CBBC‐TIC functions as an electron‐transport layer for perovskite solar cells, achieving a power conversion efficiency of 20.6%. Furthermore, the enantiomers of CBBC‐TIC exhibited spin‐selective electron transport with high enantiospecific magnetic conductance ...
Yuki Sakamoto   +15 more
wiley   +2 more sources

Improving the Efficiency of Semitransparent Perovskite Solar Cell Using Down-Conversion Coating. [PDF]

open access: yesACS Appl Mater Interfaces
Glowienka D   +10 more
europepmc   +1 more source

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

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

Enhancing Stability of Layered Double Perovskites With a Naphthalene Diimide Spacer Toward Photoelectrochemical Application

open access: yesAngewandte Chemie, EarlyView.
A bulky, hydrophobic naphthalene diimide dication spacer (NDI‐dH2+) endows the lead‐free layered double perovskite (NDI‐dH)2AgBiI8 with threefold‐higher in‐plane carrier mobility, an order‐of‐magnitude lower trap density, and exceptional water tolerance compared to aliphatic and benzene‐based analogues, enabling the first sustained photoelectrochemical
Louise De Cian   +3 more
wiley   +2 more sources

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