Results 91 to 100 of about 39,054 (213)

Learning Electronic Polarization in Molecular Systems: Vibrational Spectroscopy of Ethanol-Water Mixtures. [PDF]

J Chem Inf Model
Cunningham OS, Wilkins DM.
europepmc   +1 more source

Electrolyte Engineering Challenges and Opportunities for Next‐Generation Aqueous Ammonium‐Ion Batteries

Advanced Materials, EarlyView.
Aqueous ammonium‐ion batteries (AAIBs) face a hydrogen‐bond paradox: the HB network enables fast NH4+ transport but triggers water decomposition. This review dissects this dilemma, evaluates multiple electrolyte engineering strategies, and outlines four future directions for next‐generation AAIB design ABSTRACT Aqueous ammonium‐ion batteries (AAIBs ...
Zi‐Hang Huang, Xiaoyu Liu, Shuai Mao, Lingfeng Zhu, Zhijun Wu, Hongge Pan, Tianyi Ma   +6 more
wiley   +1 more source

Fe-DCA Metal-Organic Frameworks on the Bi₂Se₃(0001) Topological Insulator Surface. [PDF]

ACS Omega
Kurowská A, Planer J, Procházka P, Stará V, Vaníčková E, Endstrasser Z, Blatnik M, Drašar Č, Čechal J.   +8 more
europepmc   +1 more source

Decoding Synergistic Pathways in Bimetallic MOFs for Advanced Oxidation Processes

Advanced Materials, EarlyView.
This review presents a unified framework linking metal pairing and framework design with electronic structure, redox cycling, oxidant activation, reactive‐species generation, and catalytic performance across photocatalytic and oxidant‐based BMOF‐AOPs. The resulting design principles guide the development of hydrolytically stable and efficient BMOFs for
Karim El‐Naggar, Huayang Zhang, Shaobin Wang   +2 more
wiley   +1 more source

Quantum Chemical Topology Analysis of Covalent Interactions in the Hydration of F^- along with the Zinc Finger of NPL4 and Its Application to the Delimitation of QM/MM Boundaries. [PDF]

ACS Omega
Bahena-Méndez CE, Saint-Martin H, McCabe C, Guevara-Vela JM, Rocha-Rinza T.   +4 more
europepmc   +1 more source

Alloying‐Controlled Tuning of Interfacial Spin‐Orbit Interaction and Magnetic Damping in Crystalline FeCo Thin Films Grown on GaAs(001)

Advanced Materials, EarlyView.
The interfacial spin‐orbit interaction in single‐crystalline Fe1−xCox thin films grown on GaAs(001) can be continuously tuned via alloying. Using spin‐orbit ferromagnetic resonance, the authors find that the interfacial spin‐orbit fields exhibit a nonmonotonic dependence on Co concentration, with a minimum at 20% Co. ABSTRACT The discovery of intrinsic
Hongrui Lao, Matthias Kronseder, Zhe Yuan, Thomas Narr, Thomas N. G. Meier, Nadine Mundigl, Xianlin Qu, Zhongchang Wang, Christian H. Back, Lin Chen   +9 more
wiley   +1 more source

Surfactants as a Tool for Coupling Light Into Hydrodynamic Flow: The Influence of Surfactant Hydrophobicity and Head Polarity

Advanced Materials Interfaces, EarlyView.
Reversible light‐induced gradients at solid–liquid interfaces enable controllable interfacial transport via light‐driven diffusioosmosis. We demonstrate directed particle manipulation based on dynamically generated concentration gradients. The mechanism is broadly applicable to cationic, anionic, and non‐ionic surfactants with varying hydrophobicity ...
Maren Umlandt, David Feldmann, Nino Lomadze, Svetlana Santer   +3 more
wiley   +1 more source

Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy. [PDF]

Sci Data
Krishnadas A, Kansal J, Charron NE, Ragyanszki A.   +3 more
europepmc   +1 more source

Aggregation‐Controlled Vat Dyeing of Meta‐Aramid Fibers: Mechanistic Insights and Suppression of Surface Dye Deposition

Advanced Materials Interfaces, EarlyView.
Supramolecular aggregation governs the interfacial adsorption, diffusion, and fixation of anthraquinone‐based vat dyes in meta‐aramid fibers. By correlating reduction chemistry, aggregate formation, and fiber microstructure, a multiscale mechanism for aggregation‐controlled dyeing is established, providing an effective strategy to suppress surface dye ...
Jisiyuan Qin, Yahui Xia, Shiqi Hu, Yongmin Wu, Mohammad Raza Miah, Ruizhe Lu, Yunhan Tang, Genyang Cao, Sakil Mahmud   +8 more
wiley   +1 more source

Functionalized Fullerene Nanomaterials: Evaluating Heteroatom Identity for Enhanced Charge-Transfer and Reactivity. [PDF]

Molecules
Alhuthali AMS, Amin KS, Elhaes H, Ibrahim MA.   +3 more
europepmc   +1 more source