Listar Centro de investigación de Nanotecnología Aplicada (CNAP) por título
Mostrando ítems 26-45 de 91
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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] ... -
Experimental and Computational Characterization of the Interaction between Gold Nanoparticles and Polyamidoamine Dendrimers
(AMER CHEMICAL SOC, 2018)Dendrimers provide a means to control the synthesis of gold nanoparticles and stabilize their suspensions. However, design of improved dendrimers for this application is hindered by a lack of understanding how the dendrimers ... -
Fast simultaneous electrochemical detection of Bisphenol-A and Bisphenol-S in urban wastewater using a graphene oxide-iron nanoparticles hybrid sensor
(PERGAMON-ELSEVIER SCIENCE LTD, 2023-11-10)In this work, a novel and sensitive electrochemical sensor was developed for the simultaneous determination of low concentration levels of Bisphenol-A (BPA) and Bisphenol-S (BPS) in a secondary effluent from a wastewater ... -
FoamExplorer: Automated measurement of ligaments and voids for atomistic systems
(Elsevier, 2020-12)Atomistic simulations are often used to explore the mechanical and chemical properties of a variety of materials and structures, such as nanowires, whiskers, nanospheres, nanotrusses, and nanoscale foams, among others. ... -
Graphene Oxide Quantum Dots as the Support for the Synthesis of Gold Nanoparticles and Their Applications as New Catalysts for the Decomposition of Composite Solid Propellants
(AMER CHEMICAL SOC, 2018)Graphene oxide quantum dot (GOQD) and reduced GOOD (rGOQD) were synthetized using a simple and straight methodology based on an oxidative treatment and sonication. GOQD and rGOQD were used as supporting agents for the in ... -
Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study
(ROYAL SOC CHEMISTRY, 2018)We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big ... -
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 ... -
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 ... -
Hollow Gold Nanoparticles Produced by Femtosecond Laser Irradiation
(American Chemical Society, 2020-07)Metallic hollow nanoparticles exhibit interesting optical properties that can be controlled by geometrical parameters. Irradiation with femtosecond laser pulses has emerged recently as a valuable tool for reshaping and ... -
Hydrogen effects on the mechanical properties of nanocrystalline free-standing Palladium thin films
(Elsevier Ltd., 2020-05)Pd membranes are used both in hydrogen detection and hydrogen separation devices. Their properties can be improved at the nanometer scale. We simulate atomistically the tensile properties of Pd mono and polycrystalline ... -
Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics
(Elsevier BV, 2019-07)Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. ... -
Impact of internal structure on aggregate collisions
(Oxford University Press, 2023-09-18)Granular-mechanics simulations are used to study collisions between granular aggregates. We compare the collision outcomes for three different types of aggregate: (i) aggregates constructed by a ballistic particle–cluster ... -
Impulsive generation of < 100 & rang; dislocation loops in BCC iron
(IOP Publishing Ltd., 2020-07)The conditions for the formation of < 100 & rang; dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy ... -
In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent
(Chile. Universidad Mayor, 2018-01-04)This study describes the in-silico design, synthesis, and evaluation of a cross-linked PVA hydrogel (CLPH) for the absorption of organophosphorus pesticide dimethoate from aqueous solutions. The crosslinking effectiveness ... -
Increasing the temperature range of dipolar glass polymers through copolymerization: A first approach to dipolar glass copolymers
(Elsevier BV, 2020-08)This work introduces, for the first time, the dipolar glass copolymer concept as a new strategy to develop polymer dielectrics. Methacrylic monomers containing sulfone and nitrile groups were copolymerized with ... -
Indentation and scratching of iron by a rotating tool-a molecular dynamics study
(ELSEVIER, 2021-06-15)When abrasive particles interact with a surface, besides translational center-of-mass motion also rotational motion of the abrasive may be involved. We perform molecular dynamics simulations of the influence of the rotational ... -
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 ... -
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(+)) ... -
Ion implantation in nanodiamonds: size effect and energy dependence
(NATURE PUBLISHING GROUP, 2018)Nanoparticles are ubiquitous in nature and are increasingly important for technology. They are subject to bombardment by ionizing radiation in a diverse range of environments. In particular, nanodiamonds represent a variety ... -
Layer-by-layer assembled gold nanoparticles/lower-generation (Gn <= 3) polyamidoamine dendrimers-grafted reduced graphene oxide nanohybrids with 3D fractal architecture for fast, ultra-trace, and label-free electrochemical gene nanobiosensors
(ELSEVIER ADVANCED TECHNOLOGY, 2018)Three layer-by-layer (LBL) assembled gold nanoparticles (AuNPs)/lower-generation (Gn <= 3) polyamidoamine dendrimer (PD) with reduced graphene oxide (rGO) as the core/mercaptopropinoic acid (MPA)/Au were successfully ...