Home > Research Highlights > Carbon nanotubes grow in combustion flames

Research Highlights

Carbon nanotubes grow in combustion flames

Quantum chemical simulations reveal an unprecedented relationship between the mechanism of carbon nanotube growth and hydrocarbon combustion processes

Abstract:

Professor Stephan Irle (WPI-ITbM), co-workers at Kyoto University, Oak Ridge National Lab (ORNL), and Chinese research institutions have revealed through theoretical simulations that the molecular mechanism of carbon nanotube (CNT) growth and hydrocarbon combustion actually share many similarities.

CNT_orange-1.jpg

Figure 1. Carbon nanotube growth (image)

Figure_Mechanism.jpg

Figure 2. Mechanism of carbon nanotube growth

Journal Information:

"Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes" Ying Wang, Xingfa Gao, Hu-Jun Qian, Yasuhito Ohta, Xiaona Wu, Gyula Eres, Keiji Morokuma, Stephan Irle, Carbon 72, 22-37 (2014).

DOI:10.1016/j.carbon.2014.01.020

Links: