Listar Papers publicados por CNAP por fecha de publicación
Mostrando ítems 1-20 de 91
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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), ... -
PAMAM Dendrimers as Support for the Synthesis of Gold Nanoparticles: Understanding the Effect of the Terminal Groups
(American Chemical Society, 2017)The interaction between hydroxyl-, aldehyde-, and amino-terminated PAMAM GO dendrimers with gold nanoclusters Au (n = 2, 4, 6, and 8) was studied theoretically at the DFT level. Different coordination sites were explored, ... -
Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human 3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles
(MDPI, 2018)The wide tissue distribution of the adrenergic 3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there ... -
A highly stable black phosphorene nanocomposite for voltammetric detection of clenbuterol
(SPRINGER WIEN, 2018)A nanocomposite was prepared from graphene-like two-dimensional black phosphorene (BP, an allotrope of phosphorus) and nafion (Nf) treated with isopropanol (IP). A glassy carbon electrode (GCE) modified with this nanocomposite ... -
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 ... -
Mechanical Properties Obtained by Indentation of Hollow Pd Nanoparticles
(AMER CHEMICAL SOC, 2018)Palladium nanoparticles are technologically important for catalysis, hydrogen storage, and many other applications. Here, we investigate the mechanical properties of Pd hollow nanoparticles of different sizes and thicknesses ... -
Using Femtosecond Laser Irradiation To Grow the Belly of Gold Nanorods
(AMER CHEMICAL SOC, 2018)Irradiation of gold nanorods can lead to the formation of several new nanostructures. One of the most interesting among them are phi-shaped rods, a stable intermediate shape in the rod-to-sphere conversion process, but not ... -
Polyaniline Based Materials as a Method to Eliminate Haloanisoles in Spirits Beverages
(AMER CHEMICAL SOC, 2018)In this research, the abilities of two polyaniline-based materials (PANI-EB and PANI-ES) were evaluated as potential fining agents to eliminate 2,4,6-trichloroanisole (TCA) and 2,4,6-tribromoanisole (TBA). The results ... -
Tuning the structure and magnetic behavior of Ni-Ir-based nanoparticles in ionic liquids
(ROYAL SOC CHEMISTRY, 2018)We report on a simple preparation of extremely small diameter (ca. 2 nm) Ni-Ir-based NPs using Ni(COD)(2) and [Ir(COD)OCH3](2) in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMImNTf(2)). The prepared NPs ... -
Toward Controlled Morphology of FeCu Nanoparticles: Cu Concentration and Size Effects
(AMER CHEMICAL SOC, 2018)Bimetallic nanoparticles (NPs) can be tailored by varying the concentration of their constituent elements, resulting in novel structures and/or configurations, leading to interesting electronic, mechanical, and chemical ... -
Simple voltammetric analyses of ochratoxin A in food samples using highly-stable and anti-fouling black phosphorene nanosensor
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)There are few reports on the electrochemical detection of ochratoxin A (OTA) using chemically modified electrode owing to the OTA poor electrochemical activity and strong fouling effect towards electrode surface. In this ... -
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 ... -
Bending energy of 2D materials: graphene, MoS2 and imogolite
(ROYAL SOC CHEMISTRY, 2018)The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS2), and imogolite. For graphene we obtained 3.43 eV angstrom(2) per atom for the bending ... -
Layer-by-Layer-Assembled AuNPs-Decorated First-Generation Poly(amidoamine) Dendrimer with Reduced Graphene Oxide Core as Highly Sensitive Biosensing Platform with Controllable 3D Nanoarchitecture for Rapid Voltammetric Analysis of Ultratrace DNA Hybridization
(AMER CHEMICAL SOC, 2018)The structure and electrochemical properties of layer-by-layer-assembled gold nanoparticles (AuNPs)-decorated first-generation (G1) poly(amidoamine) dendrimer (PD) with reduced graphene oxide (rGO) core as a highly sensitive ... -
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 ... -
Catalytic effects of p-phenylene-bridged methylated binuclear ferrocenes on thermal decomposition of the main component of composite solid propellants
(ELSEVIER SCIENCE BV, 2018)This contribution describes the catalytic activity of homobimetallic complexes derived from p-phenylene on the thermal decomposition of ammonium perchlorate (abbreviated as AP). The complexes, [CpFe-p-Ph-FeCp] (1), ... -
Structural, electronic and catalytic properties of palladium nanoparticles supported on poly(ionic liquid)
(ELSEVIER SCIENCE BV, 2018)The structural, electronic and support effect on palladium nanoparticles (Pd NPs) prepared by sputtering deposition and chemical reduction of a Pd(II) precursor in/on a poly(ionic liquid) (PIL) was investigated in the ...