Effect of metal elements in catalytic growth of carbon nanotubes.

نویسندگان

  • Oleg V Yazyev
  • Alfredo Pasquarello
چکیده

Using first-principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late-transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the binding of mono- and diatomic carbon species, their diffusion pathways, and the stability of the growing CNT. We find that the diffusion pathways can be controlled by the choice of the catalyst and the carbon precursor. Binding of the CNT through armchair edges is more favorable than through zigzag ones, but the relative stability varies significantly among the metals. Coinage metals, in particular Cu, are found to favor CVD growth of CNTs at low temperatures and with narrow chirality distributions.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Optimized Conditions for Catalytic Chemical Vapor Deposition of Vertically Aligned Carbon Nanotubes

Here, we have synthesized vertically aligned carbon nanotubes (VA-CNTs), using chemical vapor deposition (CVD) method. Cobalt and ethanol are used as the catalyst and the carbon source, respectively. The effects of ethanol flow rate, thickness of Co catalyst film, and growth time on the properties of the carbon nanotube growth are investigated. The results show that the flow rate of ethanol and...

متن کامل

Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes

Nucleation process of single-walled carbon nanotubes by the catalytic chemical vapor deposition method is studied by classical molecular dynamics simulation. We start the calculation with randomly distributed carbon-source molecules and a nickel cluster to investigate the metal-catalyzed growth of a cap-structure of a nanotube. When the catalytic cluster reaches saturation with carbon atoms, he...

متن کامل

Evaluation of the Effect of Ni-Co NPs for the Effective Growth of Carbon Nanotubes by TCVD System

A systematic study was conducted to understand the influences of catalyst combination as Ni-Co NPs on carbon nanotubes (CNTs) grown by Chemical Vapor Deposition (TCVD). The DC-sputtering system was used to prepare Co and Ni-Co thin films on silicon substrate. Ni- Co nanoparticles were used as metal catalyst for growing carbon nanotubes from acetylene (C2H2) gas in 850 ̊ C during 15 min. Carb...

متن کامل

Growth of CNTs over Fe–Co/Nanometric TiO2 Catalyst by CVD: The Effects of Catalyst Composition and Growth Temperature

   In this research carbon nanotubes were produced by chemical vapor deposition of acetylene over a mixture of iron and cobalt catalysts supported on nanometric TiO2 and the influences of two synthesis parameters: growth temperature and catalyst composition ratio on properties of end-product carbon nanotubes were investigated. The catalytic basis was prepared by wet impregnation ...

متن کامل

Catalytic growth of single-wall carbon nanotubes from metal particles

Ž . Single-walled carbon nanotubes SWNTs have been synthesized at milligram per hour rates by the catalytic decomposition of both carbon monoxide and ethylene over a supported metal catalyst known to produce larger multiwalled nanotubes. Under certain conditions, there is no termination of nanotube growth, and production appears to be limited only by the diffusion of reactant gas through the pr...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Physical review letters

دوره 100 15  شماره 

صفحات  -

تاریخ انتشار 2008