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Minimum conditions for accurate modeling of urea production via co-electrolysis
(Nature, 2023)
Co-electrolysis of carbon oxides and nitrogen oxides promise to simultaneously help restore the balance of the C and N cycles while producing valuable chemicals such as urea. However, co-electrolysis processes are still ...
Lignin solvation by ionic liquids: The role of cation
(Elsevier, 2020-01-30)
The use of ionic liquids as solvents for the processing of lignocellulosic material has received considerable attention in the last years, since it presents remarkable advantages over previous solvent-based procedures. In ...
Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
(MDPI, 2023-12-22)
We calculate, within the density-functional theory, the atomic and electronic structure of the clean Pt(111) and Au(111) surfaces and the nML-Au/Pt(111) systems with n varying from one to three. The effect of the spin–orbital ...
Plasmon Resonance in a System of Bi Nanoparticles Embedded into (Al,Ga)As Matrix
(MDPI, 2024-01-02)
We reveal the feasibility of the localized surface plasmon resonance in a system of Bi
nanoparticles embedded into an AlxGa1−xAs semiconductor matrix. With an ab initio determined
dielectric function for bismuth and ...
Unveiling the Synergy of Coupled Gold Nanoparticles and J-Aggregates in Plexcitonic Systems for Enhanced Photochemical Applications
(MDPI, 2023-12-22)
Plexcitonic systems based on metal nanostructures and molecular J-aggregates offer an excellent opportunity to explore the intriguing interplay between plasmonic excitations and excitons, offering unique insights into ...
Unveiling Influence of Dielectric Losses on the Localized Surface Plasmon Resonance in (Al,Ga)As:Sb Metamaterials
(MDPI, 2024-01-12)
We perform numerical modeling of the optical absorption spectra of metamaterials composed of systems of semimetal antimony nanoparticles embedded into Al𝑥Ga1−𝑥As semiconductor matrices. We reveal a localized surface ...
3D Magnetization Textures: Toroidal Magnetic Hopfion Stability in Cylindrical Samples
(MDPI, 2024-01-04)
Topologically non-trivial magnetization configurations in ferromagnetic materials on the nanoscale, such as hopfions, skyrmions, and vortices, have attracted considerable attention of researchers during the last few years. ...
Blends of biodegradable poly(butylene adipate-co-terephthalate) with poly(hydroxi amino ether) for packaging applications: Miscibility, rheology and transport properties
(Elsevier, 2018-08)
The improvement of the properties of biodegradable poly(butylene adipate-co-terephthalate) (PBAT) through the addition of poly(hydroxi amino ether) (PHAE) is investigated. Analysis by means of DSC, DMTA, FTIR and TEM ...
Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111)
(American Chemical Society, 2023-02)
Thioether polymers are fundamental for a variety of applications. Their synthesis is, however, more challenging than that of other metal-catalyzed reactions due to the reported detachment of the S atom during thermal ...
Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine
(2018-12-15)
Several toxic effects arise from aluminum's presence in living systems, one of these effects is to alter the natural role of enzymes and non-enzyme proteins. Aluminum promotes the hyperphosphorylation of normal proteins. ...