Results 51 to 60 of about 5,666 (171)

Advancing Energy Materials by In Situ Atomic Scale Methods

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss, Michael Seibt, Martin Wenderoth, Oliver Bünermann, Ole Bunjes, Till Domröse, Christian Eckel, Francesca Falorsi, Christoph Flathmann, Monica Kolek Martinez de Azagra, Matthias Krüger, Jonas Lindner, Tobias Meyer, Claus Ropers, Ulrich Ross, Kai Rossnagel, Sreeju Sreekantan Nair Lalithambika, Simone Techert, Georg A. Traeger, Cynthia Volkert, R. Thomas Weitz, Alec M. Wodtke   +21 more
wiley   +1 more source

Tailoring Photochromism Beyond Human Eye Visibility: On/Off Switchable NIR Absorption in an Aluminosilicate

Angewandte Chemie, EarlyView.
A new photochromic material was developed. Its on/off‐switchable absorption band is situated completely outside the human eye's visibility, in the near‐infrared (NIR) region, a feature never reported before. The photochromism mechanism in this aluminosilicate is elucidated by combining experimental as well as computational results, and the material's ...
Bettiina Muurinen, Hannah Byron, Teppo Kreivilä, Roosa Vastamäki, Sami Vuori, Tomasz Galica, Ian P. Machado, Sari Granroth, Basit Ali, Maarit Karppinen, Ivo Heinmaa, Milica Todorović, Raphael Rullan, Stephan Steinmann, Tangui Le Bahers, Mika Lastusaari   +15 more
wiley   +2 more sources

Integrating Automated Electrochemistry and High‐Throughput Characterization with Machine Learning to Explore Si─Ge─Sn Thin‐Film Lithium Battery Anodes

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
A closed‐loop, data‐driven approach facilitates the exploration of high‐performance Si─Ge─Sn alloys as promising fast‐charging battery anodes. Autonomous electrochemical experimentation using a scanning droplet cell is combined with real‐time optimization to efficiently navigate composition space.
Alexey Sanin, Jackson K. Flowers, Tobias H. Piotrowiak, Frederic Felsen, Leon Merker, Alfred Ludwig, Dominic Bresser, Helge Sören Stein   +7 more
wiley   +1 more source

Degradation Pathways of Silicon‐Based Anodes in Lithium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Silicon‐based anodes undergo degradation through five primary pathways: (1) mechanical and structural deterioration of the active material, (2) loss of electrode integrity and electrical contact, (3) mechanical instability of the solid electrolyte interphase (SEI), characterized by repetitive fracture and deformation, (4) chemical instability of the ...
Yoon Jeong Choi, Ji‐Youn Bae, Ga‐On Park, Seung‐Ho Yu   +3 more
wiley   +1 more source

Dictionary‐based weak‐form training for noise‐robust series hybrid models with multiplicative unknowns

AIChE Journal, EarlyView.
ABSTRACT Hybrid modeling combines first‐principles equations with a data‐driven subcomponent. Training for the data‐driven part is sensitive to measurement noise when training targets are constructed using pointwise time derivatives. Beyond differentiation errors, hybrid models involve solving an inverse problem to estimate the data‐driven term, which ...
Hangjun Cho, Akshay Kudva, Parth Shah, Dongheon Lee, Joseph Sang‐Il Kwon   +4 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Talk to Your Data: An Agentic Artificial Intelligence‐Driven Decision‐Support Framework for Prosumer Energy Optimization and Recommendations

Advanced Intelligent Systems, EarlyView.
An agentic AI‐driven decision‐support framework for prosumers is proposed, integrating PV generation, load profiling, and multihorizon optimization within a four‐agent architecture. The approach significantly reduces grid dependence, enhances self‐sufficiency and prevents system oversizing.
Adela BÂRA, Simona‐Vasilica OPREA
wiley   +1 more source

Digital Twins for the Design, Interactive Control, and Deployment of Modular, Fiber‐Reinforced Soft Continuum Arms

Advanced Intelligent Systems, EarlyView.
A digital twin framework is presented for modular soft continuum arms built from fiber‐reinforced pneumatic actuators. Cosserat rod models describe individual actuators, while virtual assemblies are formed through serial and parallel networks, preserving actuator‐level architecture and arm deformation.
Seung Hyun Kim, Jiamiao Guo, Arman Tekinalp, Heng‐Sheng Chang, Ugur Akcal, Tixian Wang, Darren Biskup, Benjamin Walt, Girish Chowdhary, Girish Krishnan, Prashant G. Mehta, Mattia Gazzola   +11 more
wiley   +1 more source

Spectroscopic and In Silico Determination of the Structural and Antioxidant Properties of Essential Oils From Lavandula Species Cultivated in the Silivri Region of Istanbul

Journal of the American Oil Chemists' Society, EarlyView.
ABSTRACT Plants are important sources of bioactive compounds that contribute to nutrition, health maintenance, and disease prevention. In this study, the chemical composition and antioxidant potential of essential oils obtained from Lavandula angustifolia “Sevtopolis” and Lavandula × intermedia cultivated in the Silivri region of Istanbul were ...
Bilge Bicak, Beray Kizilkaya, Serda Kecel Gunduz, Aliye Demet Demirag, Sabriye Percin Ozkorucuklu   +4 more
wiley   +1 more source