Active Sites on Ti–Ce Mixed Metal Oxides for Reactive Adsorption of Thiophene and Its Derivatives: A DFT Study

2015 ◽  
Vol 119 (11) ◽  
pp. 5903-5913 ◽  
Author(s):  
Siddarth Sitamraju ◽  
Jing Xiao ◽  
Michael J. Janik ◽  
Chunshan Song
Keyword(s):  
Metal Oxides ◽  
Active Sites ◽  
Dft Study ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
Reactive Adsorption

scholarly journals The Key Role of Active Sites in the Development of Selective Metal Oxide Sensor Materials

Sensors ◽  
2021 ◽  
Vol 21 (7) ◽  
pp. 2554
Author(s):  
Artem Marikutsa ◽  
Marina Rumyantseva ◽  
Elizaveta A. Konstantinova ◽  
Alexander Gaskov
Keyword(s):  
Metal Oxide ◽  
Metal Oxides ◽  
Active Sites ◽  
Noble Metals ◽  
Material Composition ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
Sensor Materials ◽  
The Impact

Development of sensor materials based on metal oxide semiconductors (MOS) for selective gas sensors is challenging for the tasks of air quality monitoring, early fire detection, gas leaks search, breath analysis, etc. An extensive range of sensor materials has been elaborated, but no consistent guidelines can be found for choosing a material composition targeting the selective detection of specific gases. Fundamental relations between material composition and sensing behavior have not been unambiguously established. In the present review, we summarize our recent works on the research of active sites and gas sensing behavior of n-type semiconductor metal oxides with different composition (simple oxides ZnO, In2O3, SnO2, WO3; mixed-metal oxides BaSnO3, Bi2WO6), and functionalized by catalytic noble metals (Ru, Pd, Au). The materials were variously characterized. The composition, metal-oxygen bonding, microstructure, active sites, sensing behavior, and interaction routes with gases (CO, NH3, SO2, VOC, NO2) were examined. The key role of active sites in determining the selectivity of sensor materials is substantiated. It was shown that the metal-oxygen bond energy of the MOS correlates with the surface acidity and the concentration of surface oxygen species and oxygen vacancies, which control the adsorption and redox conversion of analyte gas molecules. The effects of cations in mixed-metal oxides on the sensitivity and selectivity of BaSnO3 and Bi2WO6 to SO2 and VOCs, respectively, are rationalized. The determining role of catalytic noble metals in oxidation of reducing analyte gases and the impact of acid sites of MOS to gas adsorption are demonstrated.

Nature of Catalytic Active Sites for Sb−V−O Mixed Metal Oxides

2008 ◽  
Vol 112 (43) ◽  
pp. 16858-16863 ◽  
Author(s):  
M. Olga Guerrero-Pérez ◽  
Taejin Kim ◽  
Miguel A. Bañares ◽  
Israel E. Wachs
Keyword(s):  
Metal Oxides ◽  
Active Sites ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
Catalytic Active Sites

Reducing N2O formation over CO‐SCR systems with CuCe mixed metal oxides

ChemCatChem ◽  
2021 ◽  
Author(s):  
Ruobing Sun ◽  
Feng Yu ◽  
Yinji Wan ◽  
Keke Pan ◽  
Wenjian Li ◽  
...  
Keyword(s):  
Metal Oxides ◽  
Mixed Metal Oxides ◽  
N2o Formation ◽  
Mixed Metal

scholarly journals Single- and Double-Site Substitutions in Mixed-Metal Oxides: Adjusting the Band Edges Toward the Water Redox Couples

2016 ◽  
Vol 120 (34) ◽  
pp. 19175-19188 ◽  
Author(s):  
Jonathan Boltersdorf ◽  
Brandon Zoellner ◽  
Chris M. Fancher ◽  
Jacob L. Jones ◽  
Paul A. Maggard
Keyword(s):  
Metal Oxides ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
Redox Couples
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