Quasi-2D SnO2 Thin Films for Gas Sensors: Chemoresistive Response and Temperature Effect on Adsorption of Analytes

被引：4

作者：

Petrunin, Alexander A. ^{[1
]}

Glukhova, Olga E. ^{[1
,2
]}

机构：

[1] Saratov NG Chernyshevskii State Univ, Inst Phys, Astrakhanskaya St 83, Saratov 410012, Russia

[2] IM Sechenov First Moscow State Med Univ, Lab Biomed Nanotechnol, Trubetskaya St 8 2, Moscow 119991, Russia

来源：

MATERIALS | 2023年 / 16卷 / 01期

基金：

俄罗斯科学基金会;

关键词：

SnO2; thin films; DFT method; chemoresistive response; gas sensors; Langmuir isotherm model; ab initio; adsorption density; SENSING MECHANISM; HOLLOW MICROSPHERES; 110; SURFACE; NANOPARTICLES; OXIDE; GGA;

D O I：

10.3390/ma16010438

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We performed in silico calculations of electrical conductivity of quasi-2D SnO2 thin films with a (110) surface-prospect material for sensitive element of gas sensors. Electronic structure, charge transfer and chemoresistive response of quasi-2D SnO2 thin films during adsorption of alcohol molecules (ethanol, methanol, isopropanol and butanol) and ketones (acetone, cyclopentanone and cyclohexanone) were calculated. It was found that the electrical conductivity of quasi-2D SnO2 thin films decreases within 4-15% during adsorption of analytes. The influence of temperature on the concentration of analytes on the surface of quasi-2D SnO2 thin films was explored in dependence analyte's type.

引用

页数：11

共 40 条

[1] Room temperature gas sensing mechanism of SnO2 towards chloroform: Comparing first principles calculations with sensing experiments [J].

Abokifa, Ahmed A. ;

Haddad, Kelsey ;

Raman, Baranidharan ;

Fortner, John ;

Biswas, Pratim .

APPLIED SURFACE SCIENCE, 2021, 554

[2] Development of ferromagnetism and formation energetics in 3d TM-doped SnO2: GGA and GGA plus U calculations [J].

Akbar, W. ;

Elahi, I ;

Nazir, S. .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2020, 511

[3] The surface and materials science of tin oxide [J].

Batzill, M ;

Diebold, U .

PROGRESS IN SURFACE SCIENCE, 2005, 79 (2-4) :47-154

[4] Synthesis and enhanced acetone sensing properties of 3D porous flower-like SnO2 nanostructures [J].

Cheng, L. ;

Ma, S. Y. ;

Wang, T. T. ;

Luo, J. .

MATERIALS LETTERS, 2015, 143 :84-87

[5]

Datta S., 2005, Quantum Transport: Atom to Transistor, V2nd ed., P217

[6]

departments.icmab.es, SIESTA WEB PAGE ICMA

[7] Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study [J].

Dudarev, SL ;

Botton, GA ;

Savrasov, SY ;

Humphreys, CJ ;

Sutton, AP .

PHYSICAL REVIEW B, 1998, 57 (03) :1505-1509

[8] Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional [J].

Ernzerhof, M ;

Scuseria, GE .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (11) :5029-5036

[9] Microstructure and luminescence properties of Co-doped SnO2 nanoparticles synthesized by hydrothermal method [J].

Fang, L. M. ;

Zu, X. T. ;

Li, Z. J. ;

Zhu, S. ;

Liu, C. M. ;

Wang, L. M. ;

Gao, F. .

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2008, 19 (8-9) :868-874

[10] Chemoresistive NH3 gas sensor at room temperature based on the carbon gel-TiO2 nanocomposites [J].

Fernandez-Ramos, M. D. ;

Capitan-Vallvey, L. F. ;

Pastrana-Martinez, L. M. ;

Morales-Torres, S. ;

Maldonado-Hodar, F. J. .

SENSORS AND ACTUATORS B-CHEMICAL, 2022, 368

← 1 2 3 4 →