SnO2 as a Gas Sensor: Modeling and Spectroscopic Approach

被引：11

作者：

Elhaes, Hanan ^{[1
,2
]}

Ibrahim, Medhat ^{[2
,3
]}

Sleim, Mahmoud ^{[4
]}

Liu, Jinhuai ^{[5
]}

Huang, Jiarui ^{[5
]}

机构：

[1] Ain Shams Univ, Fac Women Arts Sci & Educ, Cairo 11757, Egypt

[2] Jazan Univ, Fac Sci, Dept Phys, Jazan 9072, Saudi Arabia

[3] Natl Res Ctr, Dept Spect, Cairo 12311, Egypt

[4] Natl Res Ctr, Elect Microscope & Thin Films Dept, Dokki 12311, Egypt

[5] Chinese Acad Sci, Ctr Biomimet Sensing & Control Res, Hefei Inst Intelligent Machines, Hefei 230031, Anhui, Peoples R China

来源：

SENSOR LETTERS | 2009年 / 7卷 / 04期

关键词：

SnO2; Gas Sensor; D-Gauss; Ethane; Ethanol; Methane; Methanol and Molecular Modeling; SENSING PROPERTIES; TIN DIOXIDE; THIN-FILMS; AB-INITIO; SURFACE; NANOPARTICLES; SENSITIVITY; ADSORPTION; ETHANOL; ACID;

D O I：

10.1166/sl.2009.1104

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The present computational work presents a mechanism for the possible interaction between ethane, ethanol, methane and methanol with SnO2. BLYP D-Gauss results indicate that each gas could adsorb onto SnO2 via oxygen and/or tin atoms. A small change in the partial charges (Sri and O) took place and subsequently the total dipole moment is increased. Calculated vibrational spectra confirm the adsorption of one as well as two gas molecules onto SnO2 while three gas molecules could adsorb producing transition state. Gases were adsorbed then released in a short time. Furthermore, the adsorbed ethanol onto SnO2 is corresponding to a transition state. It is concluded that if the SnO2 is prepared as controlled size 0.7 nm (monolayer) the mechanism of gas sensing will be enhanced.

引用

页码：530 / 534

页数：5

共 29 条

[1] Glucose sensor based on nano-baskets of tin oxide templated in porous alumina by plasma enhanced CVD [J].

Ansari, S. G. ;

Ansari, Z. A. ;

Wahab, Rizwan ;

Kim, Young-Soon ;

Khang, Gilson ;

Shin, Hyung-Shik .

BIOSENSORS & BIOELECTRONICS, 2008, 23 (12) :1838-1842

[2] Optimization of an integrated SnO2 gas sensor using a FEM simulator [J].

Astie, S ;

Gue, AM ;

Scheid, E ;

Lescouzeres, L ;

Cassagnes, A .

SENSORS AND ACTUATORS A-PHYSICAL, 1998, 69 (03) :205-211

[3] Selective detection of methane and butane by temperature modulation in iron doped tin oxide sensors [J].

Chakraborty, S. ;

Sen, A. ;

Maiti, H. S. .

SENSORS AND ACTUATORS B-CHEMICAL, 2006, 115 (02) :610-613

[4]

Foresman J. B., 1996, AB INITIO TECHNIQUES

[5]

FORESMAN JB, 1996, EXPLORING CHEM ELECT, P46

[6] The derivation of the electrical conductance/concentration dependency for SnO2 gas sensor for ethanol [J].

Gajdosik, L .

SENSORS AND ACTUATORS B-CHEMICAL, 2002, 81 (2-3) :347-350

[7] THE INFLUENCE OF THE ELECTRODE MATERIAL ON THE SENSITIVITY OF AN SNO2 THICK-FILM GAS SENSOR [J].

GOLONKA, LJ ;

KOZLOWSKI, J ;

LICZNERSKI, BW .

SENSORS AND ACTUATORS B-CHEMICAL, 1994, 19 (1-3) :453-456

[8] An ab initio study of oxygen adsorption on tin dioxide [J].

Habgood, Matthew ;

Harrison, Nicholas .

SURFACE SCIENCE, 2008, 602 (05) :1072-1079

[9] Characterization of tin dioxide film for chemical vapors sensor [J].

Hafaiedh, I. ;

Helali, S. ;

Cherif, K. ;

Abdelghani, A. ;

Tournier, G. .

MATERIALS SCIENCE & ENGINEERING C-BIOMIMETIC AND SUPRAMOLECULAR SYSTEMS, 2008, 28 (5-6) :584-587

[10] Computational notes on structural, electronic and QSAR properties of [C60]fulleropyrrolidine-l-carbodithioic acid 2; 3 and 4-substituted-benzyl esters [J].

Hameed, Ali Jameel ;

Ibrahim, Medhat ;

ElHaes, Harlan .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 809 (1-3) :131-136

← 1 2 3 →