Microscopic investigation of laser-induced structural changes in single-wall carbon nanotubes
نویسندگان
چکیده
Harald O. Jeschke,1,* Aldo H. Romero,2 Martin E. Garcia,3 and Angel Rubio4 1Institut für Theoretische Physik, Universität Frankfurt, Max-von-Laue-Strasse 1, 60438 Frankfurt, Germany 2CINVESTAV Querétaro, Libramiento Norponiente No. 2000, 76230 Querétaro, Mexico 3Theoretische Physik, FB 18, Universität Kassel and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), Heinrich-Plett-Strasse 40, 34132 Kassel, Germany 4Física de Materiales, Facultad de Ciencias Químicas, Universidad del País Vasco, Centro Mixto UPV-CSIC, and European Theoretical Spectroscopy Facility (ETSF), E-20018 San Sebastián/Donostia, Spain Received 5 August 2006; revised manuscript received 30 November 2006; published 12 March 2007
منابع مشابه
Investigation of Sup90-Dota and interaction with Carbon nanotubes; A Semi-empirical study
The investigation of the anticancer drugs will be important because of the proliferation ofcancer. We want to take steps to improve public health. The combination of two carbon nanotubes (singlewall nanotube and multi-wall nanotube) and Sup90-Dota (an anticancer drug) was investigated basedon Molecular Mechanic and Semi-Empirical methods. Our goal is to investigate the transfe...
متن کاملInvestigation of the interaction of carbon dioxide fluid with internal and external single-wall carbon nanotubes by DFT
The effective parameters of (5, 0) and (5, 5) single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. The interaction of carbon dioxide molecules with internal and external walls of the nanotubes is studied using Gaussian 03 coding by density functional theory (DFT) at the B3LYP/6-311G level of theory. CO2 rotation around tube axles vertically and par...
متن کاملPhotoconductivity in single wall carbon nanotube sheets
In this paper we report for the first time, the photoconductivity of large area sheets of single wall carbon nanotube upon laser illumination. The photoconductivity exhibited an increase, decrease or even ‘negative’ values when the laser spot was on different positions between contact electrodes, showing a ‘position’ dependent effect of photoconductivity. Photon induced charge carrier generatio...
متن کاملInvestigation of Molecular Selenium Adsorption to the Outer Surface of Single Wall Carbon Nanotubes
In this study the adsorption of selenium molecule (Se2) on the outer surface of zigzag (5,0), (8,0) and (10,0) carbon nanotubes has been investigated. We examined number adsorbed orientations as well as different adsorption sites on nanotubes. The adsorption energies, equilibrium distances, energy differences between the highest occupied molecular orbital (HOMO) and lowest uno...
متن کاملStructural Mechanics Approach to Investigate the Hyperelastic Mechanical Behavior of Single and Multi-wall Carbon Nanotubes
In the current research, a three-dimensional finite element model was considered to predict the mechanical behavior of Single Wall (SWCNTs) and Multi Wall Carbon Nanotubes (MWCNTs). Assuming the nonlinear elastic behavior of C-C bond in large strains, hyperelastic models were considered. Literature review revealed that the material parameters of the hyperelastic models have been determined from...
متن کامل