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
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]
Glowienka D +10 more
europepmc +1 more source
In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs
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
Enhancing CaV<sub>0.5</sub>Fe<sub>0.5</sub>O<sub>3</sub>-Based Lead-Free Perovskite Solar Cell Efficiency by over 23% via Transport Layer Engineering. [PDF]
Moiz SA, Masud MI.
europepmc +1 more source
Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs
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
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
Computational Study of Chalcogenide-Based Perovskite Solar Cell Using SCAPS-1D Numerical Simulator. [PDF]
Meyer EL +4 more
europepmc +1 more source
In Situ Polymerization Controlled Growth of Perovskite via Benzoic Acid Crosslinking Agent for Highly Efficient and Mechanically Robust Flexible Perovskite Solar Cell. [PDF]
Yang Y +10 more
europepmc +1 more source
Innovative Approaches to Large-Area Perovskite Solar Cell Fabrication Using Slit Coating. [PDF]
Wang Y +5 more
europepmc +1 more source

