Results 191 to 200 of about 3,788,182 (279)

Layered Nickel–HHTP Networks for Efficient Chemiresistive Sensing of CH4 and CO2

open access: yesSmall, EarlyView.
First single‐crystal structure of Ni‐HHTP reveals alternating radical‐rich and closed‐shell layers forming a periodic, sandwich‐like framework. Coordinated and lattice water modulate interlayer spacing. The defined structure enables correlation between architecture and chemiresistive sensing toward CO2 and CH4, supported by theoretical insight into ...
Ignasi Fort‐Grandas   +6 more
wiley   +1 more source

The Fierce Morphological Battle of Silver Nanoparticles: How Irregularities, Vacancies and Defects Tip the Crossing Sizes

open access: yesSmall, EarlyView.
The silver nanoparticle morphologies are identified thanks to ab initio models, including original families of defects and complex motifs, compared to measurements provided at targeted sizes (309, 561, 742, and 923 atoms). The crossings between structures to within a few atoms have been predicted due to very accurate computational conditions, which are
Nathalie Tarrat, David Loffreda
wiley   +1 more source

Beyond Integer Charge Transfer: A New Design Rule Linking Dopant Strength and Counterion Separation to Efficient Carrier Transport in Conjugated Polymers

open access: yesSmall, EarlyView.
In this Research Article, the authors introduce a new design principle for doped conjugated polymers, showing that dopant energy depth relative to the host polymer (ΔE) can be leveraged to minimize Coulomb interactions and boost conductivity. This discovery offers a new and simple strategy to optimize the performance of organic electronics for everyday
Muhamed Duhandžić   +3 more
wiley   +1 more source

Sprayable MXene Hydrogels With Composition‐Driven Interfacial Stabilization and on‐Skin Gelation for Conformal Postsurgical Photothermal Therapy

open access: yesSmall, EarlyView.
A sprayable MXene‐loaded thermosensitive hydrogel was developed for postoperative melanoma treatment. Molecular simulations combined with experimental analyses demonstrated that polymer composition regulates MXene oxidation. The optimized hydrogel effectively preserved photothermal performance under physiological conditions, enabling efficient near ...
Taek Hwang   +15 more
wiley   +1 more source

BayesianKAN: A reaction condition optimization framework integrating Kolmogorov‐Arnold network and Bayesian optimization

open access: yesSmart Molecules, EarlyView.
A novel BayesianKAN framework integrates Kolmogorov‐Arnold networks with Bayesian optimization to efficiently navigate complex factor spaces, accelerating the discovery of optimal reaction conditions for chemical synthesis. Abstract Efficient optimization of chemical reaction conditions is crucial for enhancing reaction yield and selectivity, yet ...
Juntao Wang   +5 more
wiley   +1 more source

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