A comparative study of the CO chemisorption on Ti2O3(102) and V2O3(102) non-polar surfaces

Casarin, Maurizio; Nardi, Marco Vittorio; Vittadini, Andrea

doi:10.1016/j.susc.2004.05.084

Cited by 6 publications

(4 citation statements)

References 39 publications

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“…It has been reported namely, that during the first stages of oxidation of titanium aluminides, lower titanium oxides, such as Ti 2 O, TiO or Ti 2 O 3 can be formed, which next transform into TiO 2 [29]. One of the transient oxides, Ti 2 O 3, is known to have a corundum structure (rhombohedral) [46], and this could explain the favour- It should not be neglected either that an addition of 8e10% Nb to titanium aluminide alloys remarkably affects their oxidation resistance by limiting the growth of rutile crystals on the surface [52]. This can be associated with the effect of ternary addition on lattice parameters (e.g.…”

Section: Discussionmentioning

confidence: 99%

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Mitoraj

Godlewska²,

Heintz³

et al. 2011

Intermetallics

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Section: Discussionmentioning

confidence: 99%

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Mitoraj

Godlewska²,

Heintz³

et al. 2011

Intermetallics

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“…For instance, V 2 O 3 has been prepared on various substrates (Pd(111), Au(111) and W(110)) and was characterized by Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy (STM), Near Edge X-ray Absorption Fine Structure (NEXAFS), High Resolution Electron Energy Loss Spectroscopy (HREELS) and other methods (e.g. [13][14][15][16][17][18][19][20][21][22][23][24]). Netzer and co-workers reported variations in surface termination, availability of oxygen vacancies and stability of V 2 O 3 surfaces [13][14][15][16][17][18].…”

Section: Introductionmentioning

confidence: 99%

“…Netzer and co-workers reported variations in surface termination, availability of oxygen vacancies and stability of V 2 O 3 surfaces [13][14][15][16][17][18]. Vanadium oxide thin films were also used to study the adsorption of small molecules [13][14][15][16][17][18][19][20][21][22][23][24] and a number of Density Functional Theory (DFT) studies were reported [25][26][27][28][29]. Vanadium oxide islands on noble metals are also known to enhance the rate of CO hydrogenation.…”

Section: Introductionmentioning

confidence: 99%

Molecular adsorption on V2O3(0001)/Au(111) surfaces

et al. 2007

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The adsorption of carbon monoxide (CO), propane (C 3 H 8 ) and propene (C 3 H 6 ) on V 2 O 3 (0001) films grown on Au(111) was studied by Temperature Programmed Desorption (TPD) and X-ray Photoelectron Spectroscopy (XPS). The ''oxidized'' surface (i.e., as prepared exhibiting V=O termination), the ''reduced'' surface (i.e., V=O groups being removed by electron irradiation), as well as the oxygen pre-covered reduced surface were investigated. Both TPD and XPS indicate that the oxidized surface has little affinity for CO adsorption, while the reduced surface readily binds CO (CO amount approx. 10 times higher). Accordingly, CO can be used to titrate the presence or absence of vanadyl oxygen (via adsorption on the vanadium atoms) but also of defects like surface oxygen vacancies. For propane and propene, desorption of the parent molecules was the major process, i.e., surface reactions were absent under the applied conditions. When oxygen was pre-adsorbed on the reduced surface, the adsorption properties resembled that of the oxidized surface, i.e., the vanadyl groups were (partially) re-established. TPD and XPS provide a handle to differentiate the binding sites on the V 2 O 3 surface.

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“…In contrast to TiO 2 , Ti 2 O 3 is of little importance for catalytic applications. Nevertheless, the peculiar 3d electronic configuration of its Lewis acid sites ( ) makes it appealing from a fundamental point of view, because it allows one to study the role played by partially occupied 3d atomic orbitals (AOs) in chemisorption …”

Section: Introductionmentioning

confidence: 99%

SO₂ on TiO₂(110) and Ti₂O₃(101̄2) Nonpolar Surfaces: A DFT Study

et al. 2005

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Density functional molecular cluster calculations have been used to investigate the interaction of SO(2) with defect-free TiO(2)(110) and Ti(2)O(3)(102) surfaces. Adsorbate geometries and chemisorption enthalpies have been computed and discussed. Several local minima have been found for TiO(2)(110), but only one seems to be relevant for the catalytic conversion of SO(2) to S. In agreement with experiment, the bonding of SO(2) to Ti(2)O(3)(102) is much stronger than that on TiO(2)(110). Moreover, our results are consistent with the surface oxidation and the formation of strong Ti-O and Ti-S bonds. On both substrates, the bonding is characterized by a two-way electron flow involving a donation from the SO(2) HOMO into virtual orbitals of surface Lewis acid sites (), assisted by a back-donation from surface states into the SO(2) LUMO. However, the localization of surface states and the strength of back-donation are very different on the two surfaces. On TiO(2)(110), back-donation is weaker, and it involves unsaturated bridging O atoms, while on Ti(2)O(3)(102), it implies the -based valence band maximum and significantly weakens the S-O bond.

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A comparative study of the CO chemisorption on Ti2O3(102) and V2O3(102) non-polar surfaces

Cited by 6 publications

References 39 publications

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Molecular adsorption on V2O3(0001)/Au(111) surfaces

SO₂ on TiO₂(110) and Ti₂O₃(101̄2) Nonpolar Surfaces: A DFT Study

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A comparative study of the CO chemisorption on Ti2O3(102) and V2O3(102) non-polar surfaces

Cited by 6 publications

References 39 publications

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Scale composition and oxidation mechanism of the Ti–46Al–8Nb alloy in air at 700 and 800 °C

Molecular adsorption on V2O3(0001)/Au(111) surfaces

SO2 on TiO2(110) and Ti2O3(101̄2) Nonpolar Surfaces: A DFT Study

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SO₂ on TiO₂(110) and Ti₂O₃(101̄2) Nonpolar Surfaces: A DFT Study