Acetone Sensing Properties and Mechanism of SnO2 Thick-Films

In the present work, we investigated the acetone sensing characteristics and mechanism of SnO2 thick-films through experiments and DFT calculations. SnO2 thick film annealed at 600 °C could sensitively detect acetone vapors. At the optimum operating temperature of 180 °C, the responses of the SnO2 sensor were 3.33, 3.94, 5.04, and 7.27 for 1, 3, 5, and 10 ppm acetone, respectively. The DFT calculation results show that the acetone molecule can be adsorbed on the five-fold-coordinated Sn and oxygen vacancy (VO) sites with O-down, with electrons transferring from acetone to the SnO2 (110) surface. The acetone molecule acts as a donor in these modes, which can explain why the resistance of SnO2 or n-type metal oxides decreased after the acetone molecules were introduced into the system. Molecular dynamics calculations show that acetone does not convert to other products during the simulation.

[1]  S. Navale,et al.  Enhanced acetone sensing properties of titanium dioxide nanoparticles with a sub-ppm detection limit , 2018 .

[2]  Joan Daniel Prades,et al.  Ab initio study of NOx compounds adsorption on SnO2 surface , 2007 .

[3]  Shuyi Ma,et al.  Synthesis and enhanced acetone sensing properties of 3D porous flower-like SnO2 nanostructures , 2015 .

[4]  T. Rantala,et al.  Band structure and optical parameters of the SnO 2 ( 110 ) surface , 2001 .

[5]  K. Jain,et al.  At room temperature graphene/SnO2 is better than MWCNT/SnO2 as NO2 gas sensor , 2016 .

[6]  Gu Xu,et al.  Low cost acetone sensors with selectivity over water vapor based on screen printed TiO2 nanoparticles , 2013 .

[7]  Rui Huang,et al.  Remarkably Enhanced Room-Temperature Hydrogen Sensing of SnO2 Nanoflowers via Vacuum Annealing Treatment , 2018, Sensors.

[8]  I. Mulla,et al.  Studies on the resistive response of nickel and cerium doped SnO2 thick films to acetone vapor , 2012 .

[9]  Zeng Wen,et al.  Gas-sensing properties of SnO2–TiO2-based sensor for volatile organic compound gas and its sensing mechanism , 2010 .

[10]  Xiaofeng Wang,et al.  Sensing mechanism of SnO2(110) surface to H2: Density functional theory calculations , 2015 .

[11]  X. L. Xu,et al.  Preparation, characterization and gas sensing properties of Pr-doped ZnO/SnO2 nanoflowers , 2017 .

[12]  Xintang Huang,et al.  Fabrication of a SnO2-Based Acetone Gas Sensor Enhanced by Molecular Imprinting , 2014, Sensors.

[13]  Qiong Wang,et al.  Synthesis of Ce-doped SnO 2 nanoparticles and their acetone gas sensing properties , 2017 .

[14]  T. Rantala,et al.  Computational study of charge accumulation at SnO2(110) surface , 2005 .

[15]  Adisorn Tuantranont,et al.  Electrolytically exfoliated graphene-loaded flame-made Ni-doped SnO2 composite film for acetone sensing. , 2015, ACS applied materials & interfaces.

[16]  A. Yu,et al.  Adsorption of the OH Group on SnO2(110) Oxygen Bridges: A Molecular Dynamics and Density Functional Theory Study , 2013 .

[17]  Il-Doo Kim,et al.  Selective detection of acetone and hydrogen sulfide for the diagnosis of diabetes and halitosis using SnO(2) nanofibers functionalized with reduced graphene oxide nanosheets. , 2014, ACS applied materials & interfaces.

[18]  M. More,et al.  Acetone vapour sensing characteristics of cobalt-doped SnO2 thin films , 2007 .

[19]  T. Wang,et al.  Preparation of SnO2–ZnO hetero-nanofibers and their application in acetone sensing performance , 2015 .

[20]  B. Xiao,et al.  Enhanced acetone gas sensing properties by aurelia-like SnO2 micro-nanostructures , 2015 .

[21]  Nan Ma,et al.  Effect of Humid Aging on the Oxygen Adsorption in SnO2 Gas Sensors , 2018, Sensors.

[22]  Sotiris E Pratsinis,et al.  Si:WO(3) Sensors for highly selective detection of acetone for easy diagnosis of diabetes by breath analysis. , 2010, Analytical chemistry.

[23]  Nguyen Thi Kim Oanh,et al.  Indoor Air Pollution Control , 2005 .

[24]  Peng Sun,et al.  Hierarchical α-Fe2O3/SnO2 semiconductor composites: Hydrothermal synthesis and gas sensing properties , 2013 .

[25]  Xiaobo Zhang,et al.  Highly sensitive acetone sensors based on La-doped α-Fe2O3 nanotubes , 2013 .

[26]  I. Mulla,et al.  Co-precipitation synthesis of nanocrystalline SnO2: Effect of Fe doping on structural, morphological and ethanol vapor response properties , 2014 .

[27]  M. Gillan,et al.  First-principles study of the interaction of oxygen with the SnO2(110) surface , 2001 .

[28]  U. Weimar,et al.  Understanding the fundamental principles of metal oxide based gas sensors; the example of CO sensing with SnO2 sensors in the presence of humidity , 2003 .

[29]  Weijun Li,et al.  Synthesis of hollow SnO2 nanobelts and their application in acetone sensor , 2014 .

[30]  V. Varadarajan,et al.  Site-specific growth of Zno nanorods using catalysis-driven molecular-beam epitaxy , 2002 .

[31]  Sheng-Yuan Chu,et al.  Synthesis and study of the SnO2 nanowires growth , 2007 .

[32]  F. Qu,et al.  Synthesis of mesoporous SnO2 nanomaterials with selective gas-sensing properties , 2013, Journal of Sol-Gel Science and Technology.

[33]  J. Patil,et al.  Acetone vapour sensing characteristics of undoped and Zn, Ce doped SnO2 thick film gas sensor , 2013 .

[34]  M. Gillan,et al.  Energetics and structure of stoichiometric SnO2 surfaces studied by first-principles calculations , 2000 .

[35]  N. Makisimovich,et al.  Adsorption semiconductor sensor for diabetic ketoacidosis diagnosis , 1996 .

[36]  Shan Gao,et al.  Electrical properties and acetone-sensing characteristics of LaNi1−xTixO3 perovskite system prepared by amorphous citrate decomposition , 2009 .

[37]  Shan Gao,et al.  Alcohols and acetone sensing properties of SnO2 thin films deposited by dip-coating , 2006 .

[38]  J. K. Srivastava,et al.  Structural and micro structural studies of PbO-doped SnO2 sensor for detection of methanol, propanol and acetone , 2011 .

[39]  Zhongjun Li,et al.  Highly enhanced acetone sensing performance of porous C-doped WO3 hollow spheres by carbon spheres as templates , 2017 .

[40]  Xingjiu Huang,et al.  Study of Influencing Factors of Dynamic Measurements Based on SnO2 Gas Sensor , 2004, Sensors (Basel, Switzerland).

[41]  Tanja Neumann,et al.  Elements Of X Ray Diffraction , 2016 .

[42]  Dianqing Li,et al.  Facile Synthesis and Acetone Sensing Performance of Hierarchical SnO2 Hollow Microspheres with Controllable Size and Shell Thickness , 2016 .

[43]  Qingyi Pan,et al.  The template-free synthesis of square-shaped SnO2 nanowires: the temperature effect and acetone gas sensors , 2008, Nanotechnology.

[44]  R. S. Mulliken.  Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I , 1955 .

[45]  Noboru Yamazoe,et al.  Interactions of tin oxide surface with O2, H2O AND H2 , 1979 .

[46]  Peng Song,et al.  Preparation, characterization and acetone sensing properties of Ce-doped SnO2 hollow spheres , 2012 .

[47]  Changmin Shi,et al.  CO2-sensing properties and mechanism of nano-SnO2 thick-film sensor , 2016 .

[48]  M. Rumyantseva,et al.  Acetone Sensing by Modified SnO2 Nanocrystalline Sensor Materials , 2011 .

[49]  Tengfei Li,et al.  Template-free synthesis of highly ethanol-response hollow SnO2 spheres using hydrothermal process , 2015, Journal of Materials Science: Materials in Electronics.

[50]  Elson Longo,et al.  A New Method to Control Particle Size and Particle Size Distribution of SnO2 Nanoparticles for Gas Sensor Applications , 2000 .

[51]  A. Ayesh,et al.  Novel hydrogen gas sensor based on Pd and SnO2 nanoclusters , 2014 .

[52]  B. Delley.  From molecules to solids with the DMol3 approach , 2000 .

[53]  Xiaohua Jia,et al.  Selective detection of HCHO gas using mixed oxides of ZnO/ZnSnO3 , 2007 .

[54]  B. Delley.  An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .

[55]  Xiaofeng Wang,et al.  Sensing Mechanism of SnO2 (110) Surface to CO: Density Functional Theory Calculations , 2014 .

[56]  Yan Li,et al.  Highly sensitive acetone sensors based on Y-doped SnO2 prismatic hollow nanofibers synthesized by electrospinning , 2014 .

[57]  Zhuo Chen,et al.  Enhanced H2S sensor based on electrospun mesoporous SnO2 nanotubes , 2015, Journal of Materials Science: Materials in Electronics.

[58]  Di Zhang,et al.  Biotemplate fabrication of SnO2 nanotubular materials by a sonochemical method for gas sensors , 2010 .