Luis Aguilera - Academia.edu (original) (raw)
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Universidade Federal de Uberlândia
Max Planck Institute for the Structure and Dynamics of Matter
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Papers by Luis Aguilera
Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires form... more Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires formed by a linear carbon-atom chain inside an armchair (5,5) carbon nanotube has been observed using high-resolution transmission electron microscopy. In the present work we have studied the changes in the electronic structure of a carbon nanowires and (5,5) single-walled carbon nanotubes (SWCN) when a hydrogen atom is adsorbed. We used the Density Functional Theory and the calculations where performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We have analyzed the changes in the atomic structure, density of states (LDOS), and the local orbital population. We found charge transfer from the nanotube to the linear chain and the hydrogen atom, the electronic character of the chain and nanotube sub-systems in chain@SWCN is the same that in the corresponding isolated systems, chain or SWCN. But the hydrogen adsorption produced changes in the atomic estructure and the electronic properties. This research was supported by PRIORI-UADY under Grant No. FING-05-004 and Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grants No. 43830-F and 49985-J.
First principles study of energetic interaction of a carbon chain inside carbon nanotubes
Recently has been reported a new type of one-dimensional carbon nanostructure. Carbon nanowires f... more Recently has been reported a new type of one-dimensional carbon nanostructure. Carbon nanowires formed by a linear carbon-atom chain inside a carbon-nanotube have been observed using high-resolution transmission electron microscopy (HRTEM). In the present work, we have studied the energetic interaction and atomics forces inside of the (5,5) and (8,0) carbon nanowires, using the Density Functional Theory. The calculations were performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange- correlation potential. Analyzing the energetic interaction inside the carbon nanowires, we found that the linear carbon chain obtains a preferential position inside of the carbon nanowires.
OBJETIVOS 1. Conocer y aplicar algunos métodos para la determinación de pH. 2. Determinar el pH d... more OBJETIVOS 1. Conocer y aplicar algunos métodos para la determinación de pH. 2. Determinar el pH de varias soluciones problema. METODOLOGIA No. De tubo pH a preparar CH 3 COOH 0.2M CH 3 COONa 0.2M ADICIONAR PRIMERO ADICIONAR DESPUES
Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires form... more Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires formed by a linear carbon-atom chain inside an armchair (5,5) carbon nanotube has been observed using high-resolution transmission electron microscopy. In the present work we have studied the changes in the electronic structure of a carbon nanowires and (5,5) single-walled carbon nanotubes (SWCN) when a hydrogen atom is adsorbed. We used the Density Functional Theory and the calculations where performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We have analyzed the changes in the atomic structure, density of states (LDOS), and the local orbital population. We found charge transfer from the nanotube to the linear chain and the hydrogen atom, the electronic character of the chain and nanotube sub-systems in chain@SWCN is the same that in the corresponding isolated systems, chain or SWCN. But the hydrogen adsorption produced changes in the atomic estructure and the electronic properties. This research was supported by PRIORI-UADY under Grant No. FING-05-004 and Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grants No. 43830-F and 49985-J.
First principles study of energetic interaction of a carbon chain inside carbon nanotubes
Recently has been reported a new type of one-dimensional carbon nanostructure. Carbon nanowires f... more Recently has been reported a new type of one-dimensional carbon nanostructure. Carbon nanowires formed by a linear carbon-atom chain inside a carbon-nanotube have been observed using high-resolution transmission electron microscopy (HRTEM). In the present work, we have studied the energetic interaction and atomics forces inside of the (5,5) and (8,0) carbon nanowires, using the Density Functional Theory. The calculations were performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange- correlation potential. Analyzing the energetic interaction inside the carbon nanowires, we found that the linear carbon chain obtains a preferential position inside of the carbon nanowires.
OBJETIVOS 1. Conocer y aplicar algunos métodos para la determinación de pH. 2. Determinar el pH d... more OBJETIVOS 1. Conocer y aplicar algunos métodos para la determinación de pH. 2. Determinar el pH de varias soluciones problema. METODOLOGIA No. De tubo pH a preparar CH 3 COOH 0.2M CH 3 COONa 0.2M ADICIONAR PRIMERO ADICIONAR DESPUES