Computational study of charge accumulation at SnO2(110) surface

Mäki-Jaskari, Matti A.; Rantala, Tapio T.; Golovanov, V.

doi:10.1016/j.susc.2005.01.004

Cited by 37 publications

(38 citation statements)

References 49 publications

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“…To our knowledge, quantum chemical calculations of the interaction of oxygen with SnO 2 have been done only for the SnO 2 -A C H T U N G T R E N N U N G (110) surface, that is, for the stoichiometric, weakly reduced (Sn 5c 4 + ) and strongly reduced ("defective", Sn 4c 2 + ) conditions (for details on surface structure and geometry we refer to a recently published review [14] and original publications [73][74][75][76][77][78][79][80][81] ). However, one has to bear in mind that the calculations have been done for the oxygen-SnO 2 interaction at 0 K and should be regarded very carefully (the results of so-called ab-initio thermodynamics are not discussed in this paper).…”

Section: Ionic Modelmentioning

confidence: 99%

“…[73][74][75][76][77][78][79][80][81] Despite strong disagreement in the description of the chemical state of adsorbed The oxygen molecule is thought to pick up the local electronic charge associated with reduced Sn 2 + ions, becoming either a peroxide [78,80] or superoxo ion. [76] This is considered as the formation of an electron-depleted space-charge layer which controls the electronic behavior of SnO 2 .…”

Section: Molecular Oxygenmentioning

confidence: 99%

“…[82] Dioxygen, initially adsorbed at five-coordinated Sn 5c , moves to the O vacancy where it dissociates, one of the resulting O atoms fills ("heals") the original vacancy, while the other is ejected onto a nearby Sn 5c 4 + site ("oxygen adatom"; Figure 9). [75,79,81] Excess charge of dn = 4e accumulated in the vicinity of coordinatively unsaturated (cus) Sn 5c 4 + cations at the stoichiometric surface, and around Sn 4c 2 + cations on the reduced ones, promotes rapid dissociation of molecular oxygen. [81] Despite a similar depiction of oxygen dissociation, the adsorbed oxygen atom appears to have very different charging.…”

Section: Atomic Oxygenmentioning

confidence: 99%

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Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

2006

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Tin dioxide is the most commonly used material in commercial gas sensors based on semiconducting metal oxides. Despite intensive efforts, the mechanism responsible for gas-sensing effects on SnO(2) is not fully understood. The key step is the understanding of the electronic response of SnO(2) in the presence of background oxygen. For a long time, oxygen interaction with SnO(2) has been treated within the framework of the "ionosorption theory". The adsorbed oxygen species have been regarded as free oxygen ions electrostatically stabilized on the surface (with no local chemical bond formation). A contradiction, however, arises when connecting this scenario to spectroscopic findings. Despite trying for a long time, there has not been any convincing spectroscopic evidence for "ionosorbed" oxygen species. Neither superoxide ions O(2)(-), nor charged atomic oxygen O,(-) nor peroxide ions O(2)(2-) have been observed on SnO(2) under the real working conditions of sensors. Moreover, several findings show that the superoxide ion does not undergo transformations into charged atomic oxygen at the surface, and represents a dead-end form of low-temperature oxygen adsorption on reduced metal oxide.

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Section: Ionic Modelmentioning

confidence: 99%

Section: Molecular Oxygenmentioning

confidence: 99%

Section: Atomic Oxygenmentioning

confidence: 99%

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Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

2006

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“…In the case of molecular adsorption, the oxidation of CO occurs at higher temperatures, which ensures appearance of reactive oxygen forms according to the following, well known sequence [52]: In the temperature range 100°C \ T \ 180°C, oxygen adsorption occurs mainly in the form of O 2 -, while above the temperature of 180°C to ca. 350°C the O -species predominate [52][53][54][55]. The O -ions are highly reactive.…”

Section: Catalytic Activity Of Basno 3 and Pt/basno 3 Catalysts In Oxmentioning

confidence: 99%

“…The O -ions are highly reactive. The reactivity of superoxide is also high, though much lower compared to O - [52][53][54][55][56]. By means of discussed oxygen species, the CO molecules from gas phase can be directly oxidized.…”

Section: Catalytic Activity Of Basno 3 and Pt/basno 3 Catalysts In Oxmentioning

confidence: 99%

CO and H2 oxidation over Pt/BaSnO3 catalysts

Kocemba

Długołęcka

Wróbel-Jędrzejewska

et al. 2017

Reac Kinet Mech Cat

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This work reports the results of the studies on oxidation of carbon monoxide and H 2 over Pt supported on barium stannate (BaSnO 3 -perovskite type oxide). The composition and properties of Pt/BaSnO 3 catalysts were characterized by X-ray diffraction (XRD), time-of-flight secondary ion mass spectrometry (TOF-SIMS), H 2 and CO chemisorption, scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) and tested in the reactions of carbon monoxide and hydrogen oxidation. It was stated that platinum strongly interacts with BaSnO 3 . The catalytic activity and adsorption properties of Pt/BaSnO 3 catalysts are determined by these interactions. The presence of different species (which generally can be labelled as [(Pt)BaSnO 3 ]) resulting from platinum and BaSnO 3 chemical interaction was found by the TOF-SIMS on surface of Pt/BaSnO 3 catalysts. The mechanism of CO and H 2 oxidation over Pt/BaSnO 3 catalysts was discussed in the light of strong interactions between Pt and BaSnO 3 .

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Insight into the Role of Oxygen Diffusion in the Sensing Mechanisms of SnO₂ Nanowires

Hernández-Ramírez

Prades

Tarancón

et al. 2008

Adv Funct Materials

100

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The role of oxygen diffusion in the response of individual SnO2 nanowires to this gas is studied. Different oxygen partial pressures lead to strong changes of their electrical resistance, even at room temperature. Since surface models fail to explain the experimentally observed long‐term resistance transients, it is necessary to make a description of the interaction mechanisms between oxygen species and SnO2 nanowires by taking ion diffusion into account. Our model correctly describes the experimentally measured dependence of the nanowire resistance with oxygen partial pressure, and it can be applied to the characterization of other metal oxide materials.

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Computational study of charge accumulation at SnO2(110) surface

Cited by 37 publications

References 49 publications

Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

CO and H2 oxidation over Pt/BaSnO3 catalysts

Insight into the Role of Oxygen Diffusion in the Sensing Mechanisms of SnO₂ Nanowires

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Computational study of charge accumulation at SnO2(110) surface

Cited by 37 publications

References 49 publications

Interplay between O2 and SnO2: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

Interplay between O2 and SnO2: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

CO and H2 oxidation over Pt/BaSnO3 catalysts

Insight into the Role of Oxygen Diffusion in the Sensing Mechanisms of SnO2 Nanowires

Contact Info

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Resources

About

Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

Interplay between O₂ and SnO₂: Oxygen Ionosorption and Spectroscopic Evidence for Adsorbed Oxygen

Insight into the Role of Oxygen Diffusion in the Sensing Mechanisms of SnO₂ Nanowires