Listar por autor "Kiwi, Miguel"
Mostrando ítems 1-8 de 8
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Bending energy of 2D materials: graphene, MoS2 and imogolite
González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucl Matemat Fis & Estadit]; Rogan, Joséé; Valdivia, Juan Alejandro; Sofo, Jorge; Kiwi, Miguel; Muñoz, Francisco (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 ... -
Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics
Gonzalez, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Estudios Interdisciplinarios, Ctr Invest DAiTA Lab, Chile]; Rojas-Nuñez, Javier; Muñoz, Francisco; Baltazar, Samuel E.; Allende, Sebastián; Rogan, José; Valdivia, Juan Alejandro; Kiwi, Miguel; Ramírez, Ricardo; Greathouse, Jeffery A. (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. ... -
Ion implantation in nanodiamonds: size effect and energy dependence
Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucleo Matemat Fis & Estadist, Santiago, Chile]; González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada]; Shiryaev, Andrey A.; Hinks, Jonathan A.; Marks, Nigel A.; Greaves, Graeme; Donnelly, Stephen E.; Kiwi, Miguel; Trigub, Alexander L.; Bringa, Eduardo M.; Fogg, Jason L.; Vlasov, Igor I. (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 ... -
Mechanical Properties Obtained by Indentation of Hollow Pd Nanoparticles
González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]; Bringa, Eduardo M. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada]; Valencia, Felipe J.; Rogan, José; Valdivia, Juan Alejandro; Sofo, Jorge; Kiwi, Miguel; Muñoz, Francisco (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 ... -
Nanoindentation of polycrystalline Pd hollow nanoparticles: Grain size role
Pinto, Benjamin [Univ Mayor, Escuela Construcc, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Estudios Interdisciplinarios, Ctr Invest DAiTA Lab, Chile]; Kiwi, Miguel; Ruestes, Carlos J.; Bringa, Eduardo M. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Chile]; Rogan, José (Elsevier, 2020-06)Polycrystalline hollow nanoparticles present a unique combination of strength and flexibility. However, the exact role displayed by their grain structure in mechanical properties has not been yet fully understood. Here, ... -
The stability of hollow nanoparticles and the simulation temperature ramp
Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucleo Matemat Fis & Estadist, Santiago, Chile]; Reyes, Paula N.; Vega, Héctor; Ruestes, Carlos; Rogan, José; Valdivia, J. A.; Kiwi, Miguel (ROYAL SOC CHEMISTRY, 2018)Hollow nanoparticles (hNPs) are of interest because their large cavities and small thickness give rise to a large surface to volume ratio. However, in general they are not in equilibrium and far from their global energy ... -
Thermal stability of aluminum oxide nanoparticles: role of oxygen concentration
González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]; Valencia, Felipe J. [Univ Mayor, Fac Ciencias, DAiTA Lab, Santiago, Chile]; Ramírez, Max; Baltazar, Samuel E.; Rojas-Nunez, Javier; Allende, Sebastián; Alejandro Valdivia, Juan; Rogan, Jose; Kiwi, Miguel (ROYAL SOC CHEMISTRY, 2019)Oxygen absorption and the thermal stability of Al-147 nanoparticles were studied by means of classical molecular dynamics simulations and Monte Carlo methods. The results suggest that for the studied sizes, oxygen incorporation ... -
Thermal Stability of Hollow Porous Gold Nanoparticles: A Molecular Dynamics Study
Valencia, Felipe J. [Univ Mayor, Fac Estudios Interdisciplinarios, Ctr Invest DAiTA Lab, Chile]; Ramirez, Max; Varas, Alejandro; Rogan, José; Kiwi, Miguel (American Chemical Society, 2020-12)Hollow nanoparticle structures play a major role in nanotechnology and nanoscience since their surface to volume ratio is significantly larger than that of filled ones. While porous hollow nanoparticles offer a significant ...