Can aluminum nitride nanotubes detect the toxic NH3 molecules?

被引：93

作者：

Peyghan, Ali Ahmadi ^{[1
]}

Omidvar, Akbar ^{[1
]}

Hadipour, Nasser L. ^{[1
]}

Bagheri, Zhargham ^{[2
]}

Kamfiroozi, Mohammad ^{[3
]}

机构：

[1] Tarbiat Modares Univ, Dept Chem, Tehran, Iran

[2] Islamic Azad Univ, Islamshahr Branch, Dept Sci, Phys Grp, Tehran, Iran

[3] Islamic Azad Univ, Shiraz Branch, Dept Chem, Shiraz, Iran

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2012年 / 44卷 / 7-8期

关键词：

WALLED CARBON NANOTUBES; ELECTRONIC-PROPERTIES; FIELD-EMISSION; BORON; ADSORPTION; NITROGEN;

D O I：

10.1016/j.physe.2012.02.018

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The sensitivity of aluminum nitride nanotubes (AINNTs) to NH3 molecules was investigated using DFT calculations. It was found that NH3 molecule cannot be detected by pristine AINNTs, since it cannot change the HOMO-LUMO energy gap (E-g) of the tube upon adsorption process. Our results demonstrated that doping an oxygen atom in the vicinity of adsorption site makes the AINNT electrical conductivity strongly sensitive to the NH3 molecule. It suggests that O-doped AINNT would be a potential candidate for the NH3 molecule detection. The present results provide guidance to experimental scientists in developing nanotube-based chemical sensors. (c) 2012 Elsevier B.V. All rights reserved.

引用

页码：1357 / 1360

页数：4

共 36 条

[1] Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde [J].

Ahmadi, Ali ;

Hadipour, Nasser L. ;

Kamfiroozi, Mohammad ;

Bagheri, Zargham .

SENSORS AND ACTUATORS B-CHEMICAL, 2012, 161 (01) :1025-1029

[2] The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3 [J].

Ahmadi, Ali ;

Kamfiroozi, Mohammad ;

Beheshtian, Javad ;

Hadipour, Nasser L. .

STRUCTURAL CHEMISTRY, 2011, 22 (06) :1261-1265

[3] Interaction of NH3 with aluminum nitride nanotube: Electrostatic vs. covalent [J].

Ahmadi, Ali ;

Beheshtian, Javad ;

Hadipour, Nasser L. .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2011, 43 (09) :1717-1719

[4] Chemisorption of NH3 at the open ends of boron nitride nanotubes: a DFT study [J].

Ahmadi, Ali ;

Beheshtian, Javad ;

Hadipour, Nasser L. .

STRUCTURAL CHEMISTRY, 2011, 22 (01) :183-188

[5]

[Anonymous], 2007, GAUSSSUM 2 1

[6] Hydrogen adsorption on carbon-doped boron nitride nanotube [J].

Baierle, Rogerio J. ;

Piquini, Paulo ;

Schmidt, Tome M. ;

Fazzio, Adalberto .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (42) :21184-21188

[7] Scanning tunneling microscopy observation of coiled aluminum nitride nanotubes [J].

Balasubramanian, C ;

Bellucci, S ;

Castrucci, P ;

De Crescenzi, M ;

Bhoraskar, SV .

CHEMICAL PHYSICS LETTERS, 2004, 383 (1-2) :188-191

[8]

Beheshtian J., STRUCTURAL IN PRESS, DOI [10.10071s11224-011-9911-z, DOI 10.1007/S11224-011-9911-Z]

[9] A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages [J].

Beheshtian, Javad ;

Bagheri, Zargham ;

Kamfiroozi, Mohammad ;

Ahmadi, Ali .

JOURNAL OF MOLECULAR MODELING, 2012, 18 (06) :2653-2658

[10] Computational study of CO and NO adsorption on magnesium oxide nanotubes [J].

Beheshtian, Javad ;

Kamfiroozi, Mohammad ;

Bagheri, Zargham ;

Ahmadi, Ali .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2011, 44 (03) :546-549

← 1 2 3 4 →