Results 191 to 200 of about 753,984 (343)

Solvent Co‐Intercalation Enabled Ca Storage in MoS2 for Ca‐Ion Batteries

Advanced Functional Materials, EarlyView.
Regulating electrolyte solvation levels enables otherwise non‐intercalatable Ca2+ ions to reversibly co‐intercalate into molybdenum disulfide (MoS2) as ether‐solvated species. The intercalation reversibility is strongly governed by solvent chain length, as demonstrated using diethylene glycol dimethyl ether (G2) and tetraethylene glycol dimethyl ether (
Yudong Luo, Matthias Golomb, Yupei Han, Pan He, Neubi Xavier, Wanjun Ren, Yi Lu, Matthew Hopper, Henry R. Tinker, Qiong Cai, Yang Xu   +10 more
wiley   +1 more source

Fine-Tuning Directional Message Passing Neural Networks: Predicting Properties of Conjugated Organic Polymers with High Accuracy. [PDF]

Polymers (Basel)
Koskin IP, Petrosyan LS, Kazantsev MS.
europepmc   +1 more source

Residual‐Lithium‐to‐LiF Conversion Enables a LiF–Fluorinated Carbon Interphase for Reconstruction‐Resistant Ni‐Rich Cathodes

Advanced Functional Materials, EarlyView.
A fluorine‐rich acrylate monomer (PFHEA) was solvent‐free applied to NCM90 and thermally decomposed under Ar to convert residual lithium into LiF and form a pre‐built LiF/fluorinated amorphous carbon (LiF/FC) interphase. The LiF/FC layer suppresses NiO rock‐salt reconstruction and microcrack propagation, lowers interfacial resistance, and improves Li ...
Pangyu Kim, Juyeon Han, Junhyeok Kim, Younghoon Kim, Eunha Seo, Dain Kim, Jeeyoung Yoo   +6 more
wiley   +1 more source

Nanoparticle Shape Dictates Catalytic Performance in Selective Hydrogenation of Butadiene Over Au‐Pd Core‐Shell Nanoparticles

Advanced Functional Materials, EarlyView.
Controlling the exposed crystal facet of shape‐controlled Au‐Pd core‐shell catalysts though colloidal synthesis enhances their catalytic performance in the industrially relevant selective hydrogenation of butadiene. ABSTRACT Selective hydrogenation of butadiene is a critical step in purification of alkene feedstocks for polymer production and is ...
Marta Perxés Perich, Jan‐Willem Lankman, Petra E. de Jongh, Jessi E. S. van der Hoeven   +3 more
wiley   +1 more source

Nanobody‐Conjugated Theranostic Prodrug Targeting αvβ3 Integrin Enables Precision Cancer Therapy With Real‐Time Imaging

Advanced Healthcare Materials, EarlyView.
The image shows a schematic form a nanobody‐conjugated theranostic prodrug (NBD) platform targeting tumor‐associated αvβ3 integrin. The NBD system integrates selective nanobody‐mediated tumor recognition, glutathione‐responsive disulfide cleavage for doxorubicin release, and aza‐BODIPY‐based near‐infrared fluorescence for real‐time imaging.
Sanu Karan, Hyunseung Lee, Rema Naskar, Mi Young Cho, Hye Sun Park, Eun Hee Han, Soumyadip Hore, Sun Hee Cho, Truc Ngoc Kim Lam, Taewoong Son, Tae Jung Park, Inkyu Hwang, Jonathan L. Sessler, Kwan Soo Hong   +13 more
wiley   +1 more source

Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost. [PDF]

J Chem Theory Comput
Berta D, Csóka J, Samu G, Nagy PR.
europepmc   +1 more source

Opinion: Gavage Administration of MXene as a Route‐Specific Alternative to Intravenous Injection into the Bloodstream of Laboratory Animals for Reducing Systemic Nanotoxicity Risks in Immunosuppression and Post‐Transplantation Models with Bile Acid Modification

Advanced Healthcare Materials, EarlyView.
Recent studies reported immunosuppressive properties of specific MXene nanomaterials. Their intravenous injection into the bloodstream of laboratory animals has been a common delivery method to suppress systemic inflammation and prevent transplant rejection.
Alireza Rafieerad, M. Akif Rahman, Ahmad Amiri   +2 more
wiley   +1 more source

Integrated Visible Light and Oxidant Protection Through Multifunctional Sunscreens

Advanced Healthcare Materials, EarlyView.
High‐energy visible radiation (HEVR), although less energetic than UV light, penetrates deeper into the skin and contributes to photoaging, pigmentation disorders, and oxidative stress. The development of new HEVR‐targeted filters, therefore, represents not only a scientific challenge but also a pressing public health and cosmetic industry need.
Beatriz Peñín, Raúl Losantos, Ignacio Funes‐Ardoiz, Diego Sampedro   +3 more
wiley   +1 more source

Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity. [PDF]

J Chem Theory Comput
Svahn V, Magdău IB, Niblett SP, Csányi G, Hermansson K, Kullgren J.   +5 more
europepmc   +1 more source

Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate

Advanced Materials, EarlyView.
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu, Keliang Song, Haorui Zhang, Zhipeng Liu, Guansong He, Junru Wang, Wenming Yang, Xu Zhao, Zhijian Yang   +8 more
wiley   +1 more source