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Natural Deep Eutectic Solvents Based on Choline Chloride and Phenolic Compounds as Efficient Bioadhesives and Corrosion Protectors
(American Chemical Society, 2022)
[EN] Natural deep eutectics solvents (NADES), owing to their high solvation capacity and nontoxicity, are actively being sought for many technological applications. Herein, we report a series of novel NADES based on choline ...
Self-healable dynamic poly(urea-urethane) gel electrolyte for lithium batteries
(Royal Society of Chemistry, 2022)
[EN] Self-healing materials are actively studied in order to extend the lifetime and performance of batteries. Dynamic covalent networks have recently emerged as one of the best self-healable materials which allow thermosets ...
(PVDF)2(PEO)2 miktoarm star copolymers: Synthesis and isothermal crystallization leading to exclusive β-phase formation
(Elsevier, 2022-10)
In this work, we study how chain topology can induce different polymorphic behaviors in poly(vinylidene fluoride) (PVDF)-based materials. A linear PVDF precursor with two azido groups at the junction point, (PVDFx-N3)2 and ...
Classical dynamics of gas-surface scattering: fundamentals and applications.
(2021-02-05)
This thesis manuscript is devoted to the theoretical study of several reactive andnon-reactive processes that take place at the gas-solid interface. Two classical trajec-tory methods, different and complementary, were used ...
Protein adsorption/desorption dynamics on Ca-enriched titanium surfaces: biological implications
(Springer, 2021-08-27)
Calcium ions are used in the development of biomaterials for the promotion of coagulation, bone regeneration, and implant osseointegration. Upon implantation, the time-dependent release of calcium ions from titanium implant ...
Length Absence of Spillover of Hydrogen Adsorbed on Small Palladium Clusters Anchored to Graphene Vacancies
(Elsevier, 2021-08-01)
Experimental evidence exists for the enhancement of the hydrogen storage capacity of porous carbons when these materials are doped with metal nanoparticles. One of the most studied dopants is palladium. Dissociation of the ...
Recyclable Epoxy Resin via Simultaneous Dual Permanent/Reversible Crosslinking Based on Diels-Alder Chemistry
(Wiley, 2021-09)
Taking advantage of the reversible Diels-Alder (DA) reaction, a simple strategy to obtain recyclable epoxy resins is presented. For this purpose, blends of furan-functionalized and nonfunctionalized epoxy resin are prepared. ...
Photoinduced desorption dynamics of CO from Pd(111): a neural network approach
(American Chemical Society, 2021-07-19)
[EN] Modeling the ultrafast photoinduced dynamics and
reactivity of adsorbates on metals requires including the effect of the
laser-excited electrons and, in many cases, also the effect of the highly
excited surface ...
Enhanced and Reusable Poly(hydroxy urethane)-Based Low Temperature Hot-Melt Adhesives
(American Chemical Society, 2022)
[EN] Poly(hydroxy urethane)s (PHUs) based on 5-membered cyclic carbonates have emerged as sustainable alternatives to conventional isocyanate-based polyurethanes. However, while from the point of view of sustainability ...
Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations
(MDPI, 2021-02-23)
We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation ...