Centro de investigación de Nanotecnología Aplicada (CNAP): Envíos recientes
Mostrando ítems 41-60 de 91
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Modeling habitat suitability and spread dynamics of two invasive rose species in protected areas of Mendoza, Argentina
(Elsevier, 2020-12)Biological invasions are a main threat to biodiversity and natural resources, which calls for studies that identify the regions that present the greatest invasion risks. We assessed the potential distribution of two ... -
MeV irradiation of tungsten nanowires: structural modifications
(IOP Publishing Ltd., 2020-05)In this work we use the Two Temperature Model coupled to Molecular Dynamics (TTM-MD) to study swift heavy ion irradiation of W finite nanowires. Au projectiles are considered with energies ranging from 20 to 50 MeV, which ... -
Magnon valley Hall effect in CrI3-based van der Waals heterostructures
(American Physical Society, 2020-05)Magnonic excitations in the two-dimensional (2D) van der Waals (vdW) ferromagnet chromium triiodide (CrI3) are studied. We find that bulk magnons exhibit a nontrivial topological band structure without the need for ... -
Structural Relaxation and Crystalline Phase Effects on the Exchange Bias Phenomenon in FeF2/Fe Core/Shell Nanoparticles
(John Wiley and Sons Ltd, 2020-09)In this study, the power of first-principles methods along with molecular dynamics and atomistic Monte Carlo simulations is employed to elucidate the effects of the structural relaxation on the exchange bias (EB) behavior ... -
Tri-functional oligomeric polyesters prepared from new dicarboxylic acids containing several amino acids residues by Higashi methodology: synthesis, characterization, and study of solubility and thermal behavior
(Chile. Universidad Mayor, 2021)The synthesis of polyfunctional aliphatic oligomeric polyesters (poly(ether-imido-esters;PEIEs) containing several amino acid residues is described, and their thermal properties and solubility behavior were studied. The ... -
Using classical Cepheids to study the far side of the Milky Way disk: I. Spectroscopic classification and the metallicity gradient
(Chile. Universidad Mayor, 2020)Context. Much of what we know about the Milky Way disk is based on studies of the solar vicinity. The structure, kinematics, and chemical composition of the far side of the Galactic disk, beyond the bulge, are still to be ... -
Ethylene polymerization by binuclear chromium complex with tetrakis(pyrazolyl-methyl)benzene ligand
(Chile. Universidad Mayor, 2020)The reaction of one equivalent of 1,2,4,5-tetrakis(pyrazolyl-methyl)benzene ligand (L) with two equivalents of Cr(THF)(3)Cl-3 in tetrahydrofuran has produced a binuclear neutral complex of general formula [Cr2L(THF)(2)Cl-6] ... -
Utilization of industrial by-product fungal biomass from Aspergillus niger and Fusarium culmorum to obtain biosorbents for removal of pesticide and metal ions from aqueous solutions
(Chile. Universidad Mayor, 2020)In this work, Aspergillus niger and Fusarium culmorum cell wall by-products were chosen as microbial sources for chitin and chitosan production. Both polysaccharides were characterized by FTIR and C-13-CPMAS NMR, but GPC ... -
Size and temperature dependent magnetization of iron nanoclusters
(Chile. Universidad Mayor, 2020)The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. ... -
An Overview, of Injectable Thermo-Responsive Hydrogens and Advances in their Biomedical Applications
(Bentham Science, 2020)Background: Injectable hydrogels are a thermo-responsive system based on biomaterials. Injectable hydrogels have been broadly investigated mainly as vehicles or scaffolds of therapeutic agents that include drugs, proteins, ... -
Prelimary Results of the Reaction of Cyclotrimerization of Phenylacetylene [2+2+2] Catalyzed by [(Cp*)Co(Indene)] Complex
(Sociedad Chilena de Química, 2018-03)This work describes the catalytic study of [(Cp*)Co(Ind)] (with Cp*- pentamethylcyclopentadienyl, Ind = Indenyl, (C9H7)) complex in cyclotrimerization of phenylacetylene. From the cylcotrimerization reaction was possible ... -
Highly modulated supported triazolium-based ionic liquids: direct control of the electronic environment on Cu nanoparticles
(Royal Society of Chemistry, 2020-03-01)A series of new triazolium-based supported ionic liquids (SILPs), decorated with Cu NPs, were successfully prepared and applied to the N-arylation of aryl halides with anilines. The triazoles moieties were functionalised ... -
Interaction of supported ionic liquids phases onto copper nanoparticles: A DFT study
(Elsevier, 2020-07-15)The interaction between Supported Ionic Liquids Phases (SILPs) based on triazole and copper nanoparticles was investigated using density functional theory calculations. Three triazolium cations (T1(+), T2(+), and T3(+)) ... -
Effect of the Generation of PAMAM Dendrimers on the Stabilization of Gold Nanoparticles
(American Chemical Society, 2020-06-22)The behavior of small and intermediate generations of poly(amidoamine) (PAMAM) dendrimers and PAMAM vertical bar gold nanocomposites was studied by computational tools and experimental techniques. Molecular dynamics ... -
Nanohybrids of reduced graphene oxide and cobalt hydroxide (Co(OH)(2)|rGO) for the thermal decomposition of ammonium perchlorate
(Royal Society of Chemistry, 2020-06-18)The catalytic activity of nanoparticles of cobalt hydroxide supported on reduced graphene oxide, Co(OH)(2)|rGO, was studied for the decomposition of ammonium perchlorate (AP), the principal ingredient of composite solid ... -
Synthesis and Characterization of a 2,3-Dialkoxynaphthalene-Based Conjugated Copolymer via Direct Arylation Polymerization (DAP) for Organic Electronics
(MDPI, 2020-06-19)Poly[(5,5'-(2,3-bis(2-ethylhexyloxy)naphthalene-1,4-diyl)bis(thiophene-2,2'-diyl))-alt-(2,1,3-benzothiadiazole-4,7-diyl)] (PEHONDTBT) was synthesized for the first time and through direct arylation polymerization (DAP) for ... -
Advancements in the Synthesis of Building Block Materials: Experimental Evidence and Modeled Interpretations of the Effect of Na and K on Imogolite Synthesis
(AMER CHEMICAL SOC, 2017)The effects of Na/K substitution during the synthesis of imogolite nanotubes (NTs) were studied using a combination of structural and surface analyses. These were complemented with molecular dynamics (MD) and DFT computational ... -
Inducing Porosity on Hollow Nanoparticles by Hypervelocity Impacts
(American Chemical Society, 2017)The large surface-to-volume ratio of hollow palladium nanoparticles (hNPs) offers room to improve their hydrogen storage capacity as well as their catalytic activity. However, a less explored possibility is to use, in ... -
Hillock formation on nanocrystalline diamond
(PERGAMON-ELSEVIER SCIENCE LTD, 2017)Hillock formation on nanocrystalline (nc) diamond under swift heavy ion irradiation is studied by means of classical molecular dynamics. The irradiation is simulated by means of a thermal spike model, the nc samples include ... -
Composites of electrochemically reduced graphene oxide and polythiophene and their application in supercapacitors
(Electrochemical Science Group, 2017)Composite films consisting of polythiophene (PTh) and graphene oxide (GO) were synthetized by electrochemical polymerization. Consequently, the GO was reduced via cyclic voltammetry to form a reduced composite (PTh/rGO), ...