Results 191 to 200 of about 6,363 (257)

Motional Narrowing Effects in the Excited State Spin Populations of Mn-Doped Hybrid Perovskites. [PDF]

J Phys Chem Lett
Zerhoch J, Bodnar S, Lerpinière JE, Liu S, Neumann T, Sergl B, Heindl MW, Shcherbakov A, Elghandour A, Klingeler R, Walker AB, Deschler F.   +11 more
europepmc   +1 more source

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

Advanced 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, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Incorporation of Organic Counter‐Cations Into Poly(Heptazine Imide) Networks for Promoting Proton‐Coupled Electron Transfer During Photocatalytic H2O2 Evolution

Angewandte Chemie, EarlyView.
Incorporation of N‐based onium ions into the ionic framework of poly(heptazine imide) was obtained via protonation‐deprotonation of PHI frameworks arising from a parent Na‐containing analogue. Particularly, methylammonium moieties, through their small molecular size, hydrogen bonding capabilities and rotational mobility, appear to stabilize ...
Dingqiao Ji, Hikmat Binyaminov, Desiree Leistenschneider, Martin Oschatz, Paolo Giusto, Markus Antonietti, Horațiu Szalad   +6 more
wiley   +2 more sources

Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites. [PDF]

Acta Crystallogr E Crystallogr Commun
Semenikhin OA, Shova S, Golenya IA, Naumova DD, Gural'skiy IA.   +4 more
europepmc   +1 more source

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

Advanced 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

Advanced 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, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source

Exploiting Ferroelectric and Spintronic Dynamics for Neural Network Computation

Advanced Intelligent Systems, EarlyView.
Ferroelectric and spintronic devices, relying on the control of polarization and magnetization, offer intrinsically fast, durable, energy‐efficient, and low‐latency building blocks for analog in‐memory computing. The hysteretic dynamics of an order parameter are leveraged to provide nonvolatile, multistate memory and nonlinear switching. Brain‐inspired
Dashiell Harrison, Kevin Nadaud, Josquin Harrison, Guillaume F. Nataf, Laura Bégon‐Lours   +4 more
wiley   +1 more source

Percolation-Induced Ferrimagnetism from Vacancy Order in [Gua]Mn_1-xFe_2x/3(HCOO)₃ Hybrid Perovskites. [PDF]

J Am Chem Soc
Bulled JM, Willis A, Faure Beaulieu Z, Cassidy SJ, Bruckmoser J, Boström HLB, Goodwin AL.   +6 more
europepmc   +1 more source

Controlling the Guanidinium Cation Rotation by Cation–π Interactions

Angewandte Chemie International Edition, EarlyView.
A lanthanide π‐container has been employed to trap a guanidinium cation inside the aromatic cavity by cation–π interactions. X‐ray crystallography and solid‐state nuclear magnetic resonance (NMR) spectroscopy at fast magic‐angle spinning (MAS) frequencies have been utilized to probe the underlying host–guest interactions.
Hannah Busch, Lennart Günzel, Ettore Bartalucci, Robert Schuster, Christian Zocher, Martin Börner, Chandan K. Das, Florian Taube, Björn Corzilius, Maria Fyta, Matthias Ernst, Berthold Kersting, Thomas Wiegand   +12 more
wiley   +1 more source

Regulating Circularly Polarized Light Detection via Polar-Phase Transition in Alternating Chiral-Achiral Cations Intercalation-Type Hybrid Perovskites. [PDF]

Adv Sci (Weinh)
Zhu ZK, Zhu T, You S, Yu P, Wu J, Zeng Y, Jiang Y, Liu X, Li L, Ji C, Luo J.   +10 more
europepmc   +1 more source