Paper Title:
Adosorption of H2O on the Inside Surface of B-N Co-Doped Carbon Nanotube
  Abstract

In this paper, we have investigated the geometries and electronic structures of B-N co-doped carbon nanotube with inside adsorption of water molecules. The charge distributions, band structures and local density of states are calculated by using the first-principles theory in detail. The results show that the water molecules can adsorb stably on the inside surface of the doped nanotube with slight deformation. The π and π* subbands shift upward depending on the sites of the adoptions. The investigations will be beneficial to the biological application of B-N co-doped nanotube.

  Info
Periodical
Key Engineering Materials (Volumes 480-481)
Edited by
Yanwen Wu
Pages
132-136
DOI
10.4028/www.scientific.net/KEM.480-481.132
Citation
J. W. Wei, H. Zeng, L. C. Pu, N. Hu, "Adosorption of H2O on the Inside Surface of B-N Co-Doped Carbon Nanotube", Key Engineering Materials, Vols. 480-481, pp. 132-136, 2011
Online since
June 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Ping Tang, Xiong Yang, Ying Shu Liu
Abstract:Five types of active carbon’s adsorption isotherm of nitrogen at 77K were measured, and their adsorption characteristic were analysed. The...
586
Authors: Xi Li, Jian Zhu, Fu Jian Lv, Jin Guo Wang, Zong Li Xie, Manh Hoang, He Xing Li
Chapter 7: Pollution Control Project (Air, Water, Solid)
Abstract:Two kinds of SnS2 materials were prepared through the hydrothermal route, respectively using thioacetamide (TAA) and thiourea as...
1708
Authors: Zhi Li He, Zhan Fei He, Zhi Xia He, Yuan Yuan Chen
Chapter 1: Materials Behavior
Abstract:In this work, the magnesia modified activated carbon (MgO-AC) adsorbent was characterized by scanning electron microscopy (SEM). The effects...
47
Authors: Wei Zhao, Qing Yuan Meng
Chapter 7: Physics and Chemistry Materials and Technology
Abstract:The adsorption of methane (CH4) molecule on the pristine and Al-doped (4, 8) graphene was investigated via the first-principles...
870
Authors: Xiong Yang, Ying Shu Liu, Yong Ling Li
Chapter2: Research on Material Engineering and Material Applications
Abstract:Nine types of active carbon materials’ adsorption isotherm of nitrogen at 77K were measured, and their surface texture parameters were...
177