Results 81 to 90 of about 40,239 (260)

Accelerated Discovery of Topological Spin Phase Diagrams in CrSBr Magnets Via High‐Throughput Optimization

Advanced Functional Materials, EarlyView.
Here, we develop a high‐throughput algorithm that accelerates the elucidation of phase diagrams of topological spin textures using limited computational resources at high numerical accuracy. Applying this framework to the van der Waals magnet CrSBr, we unveiled a hierarchy of previously unknown topological textures (domain‐wall bimerons, bimeron chains,
Andrew Lyall, Mohammad H. Badarneh, Cristian Bonato, Rebecca Cheung, Elton J. G. Santos   +4 more
wiley   +1 more source

Simulation of the interaction mechanisms of the outer surface of albumin with platinum(II) complexes

Хімія, фізика та технологія поверхні
The development of new approaches for evaluating the interaction of chemotherapeutic drugs with blood proteins is one of the key areas of modern research aimed at improving the effectiveness of anticancer therapy.
M.V. Sydorenko, E.M. Demianenko, N.V. Siharova , N.Yu. Pershko, S.V. Zhuravskyi , A.D. Terets   +5 more
doaj   +1 more source

Quantum Chemical Modeling of the Effects of Hydrated Lime (Calcium Hydroxide) as a Filler in Bituminous Materials. [PDF]

ACS Omega, 2021
Grajales JA, Pérez LM, Schwab AP, Little DN.   +3 more
europepmc   +1 more source

Sub‐1 ms Optoelectronic Synapse Based on {ZnCdO/ZnO} Multilayer Structure for High‐Speed Neuromorphic Vision Systems

Advanced Functional Materials, EarlyView.
Eu‐doped {ZnCdO/ZnO} structures grown on Si are developed, showcasing dual‐functionality controlled by europium doping. While high europium concentration transforms the device into an ultrafast, self‐powered photodetector, low‐doped structures can be used as an optoelectronic synapse.
Igor Perlikowski, Eunika Zielony, Adrian Kaim, Ewa Przeździecka   +3 more
wiley   +1 more source

Computer quantum chemical simulation of the interaction of magnesium phosphate with essential amino acids

Современная наука и инновации
As part of this work, a computer quantum chemical simulation of the interaction of magnesium phosphate with essential amino acids was carried out in order to determine the optimal stabilizer for Mg3(PO4)2 nanoparticles.
A. A. Blinova, M. A. Pirogov, I. M. Shevchenko, P. S. Leontev, D. D. Filippov, E. S. Kuznetsov   +5 more
doaj   +1 more source

Nitride MXenes Beyond Carbides: Bridging the Gap Between Computational Prediction and Experimental Realization

Advanced Functional Materials, EarlyView.
Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley   +1 more source

A New Strategy for Creating Quantum Light Emitters Via Post‐Growth Hydrogen‐Ion Irradiation of III‐V Nanowires

Advanced Functional Materials, EarlyView.
A post‐growth method is demonstrated to realize energy‐tunable quantum emitters in GaAs/GaAsN/GaAs core–multishell nanowires on a Si substrate. By combining the N‐induced bandgap reduction with H‐ion irradiation, the GaAsN potential landscape is engineered, enabling isolated, narrow emission lines that function as single‐photon sources with g(2)(0) ∼ 0.
Akant Sagar Sharma, Paolo De Vincenzi, Nadine Denis, Francesca Santangeli, Riccardo Pallucchi, Harikrishnan Gopalakrishnan, Elena Blundo, Antonio Polimeni, Marco Felici, Fumitaro Ishikawa, Marta De Luca   +10 more
wiley   +1 more source

Halide Composition Controls Phase Morphology and Device Specific Performance in Perovskite Photovoltaics and Light Emitting Diodes

Advanced Functional Materials, EarlyView.
We demonstrate that halide composition determines phase morphology, governing distinct operating mechanisms in mixed halide perovskites. Phase segregating 75% Br compositions enhance solar cell performance, whereas intrinsically phase‐separated 95% Br compositions provide stable light emitting diodes.
Tal Binyamin, Stav Rahmany, Anat Shvets, Hadar Shema, Elad Gross, Ido Hadar, Lioz Etgar   +6 more
wiley   +1 more source

High‐Efficiency Quantum Defect Generation in Carbon Nanotubes via Oxygen‐Free Photochemistry

Advanced Functional Materials, EarlyView.
We show that oxygen plays an important role in quantum defect formation in carbon nanotubes and identify reaction conditions to create a range of different quantum defects for photonics and biosensing. ABSTRACT Single‐walled carbon nanotubes (SWCNTs) offer potential for a wide range of applications from optoelectronic devices to biomedical diagnostics.
Christina Derichsweiler, Valeriia D. Andreeva, Jan Stegemann, Julia Ackermann, Janus A. C. Wartmann, Svenja Herbertz, Sebastian Kruss   +6 more
wiley   +1 more source

Stabilization of Strongly Reduced Fe(I) Single Atom Species Coordinated in a 2D Self‐Assembled Metal–Organic Network

Advanced Functional Materials, EarlyView.
A graphene‐supported 2D metal–organic network stabilizes highly reactive Fe(I)‐N4 single sites through Co‐induced charge redistribution. Combined experiments and theory reveal Fe(I) formation, oxygen‐driven oxidation, and O2 activation mechanisms, offering a strategy to access low‐valent iron centers relevant to catalytic and biological processes ...
Alessandro Namar, Basant Roondhe, Michela De Col, Stefania Baronio, Matteo Jugovac, Mattia Scardamaglia, Eleanor Frampton, Nikolay Vinogradov, Paolo Giannozzi, Erik Vesselli   +9 more
wiley   +1 more source