The structure of the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study

Kröger, Emily Alice; Sayago, David I.; Allegretti, Francesco; Knight, Matthew John; Polčík, Martin; Unterberger, Werner; Lerotholi, T. J.; Hogan, Kirsty A.; Lamont, Christine L. A.; Woodruff, D.P.

doi:10.1016/j.susc.2007.06.014

Cited by 19 publications

(59 citation statements)

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“…The surface structure is a relevant parameter for catalytic reactions, and therefore the termination of V 2 O 3 films prepared in UHV has been discussed in a number of publications. − Different structural models discussed in these publications are graphically summarized in Figure . V 2 O 3 crystallizes in the corundum structure.…”

Section: Introductionmentioning

confidence: 99%

Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study

2015

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Using I/V-LEED and scanning tunneling microscopy, we have investigated the surface structure of ∼100 Å thick V 2 O 3 (0001) films on Au(111). Both methods clearly show that the surface is terminated by a layer of vanadyl groups. I/V-LEED quantitative structure determination applied to differently prepared films always leads to a Pendry Rfactor for the VO termination close to 0.11 while the R-factor for a reconstructed O 3 termination is always larger than 0.2 and increases with increasing data set size. These results are at variance with a recent publication by Window et al. [Phys. Rev. Lett. 2015, 114, 216101] in which the authors propose that the V 2 O 3 (0001) surface is terminated by a reconstructed O 3 structure. Surface oxidation experiments also contradict the conclusions of Window et al. since oxidation leads to a previously identified structure with a (√3 × √3) R30°LEED pattern which is not expected for oxidation of an O3-terminated surface. In the course of the I/V-LEED calculations the individual Debye temperatures of the surface atoms were determined as part of the structural optimization procedure. We show that this approach is superior to the kinematical analysis of temperature-dependent LEED measurements.

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Section: Introductionmentioning

confidence: 99%

Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study

2015

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“…The interesting physical and chemical properties of vanadium oxides, originated from a variety of vanadium oxidation states and coordinated oxygen species, have inspired numerous studies in the past several decades. [1][2][3][4][5][6][7][8][9][10][11][12][13] Moreover, vanadium oxide has been widely used in heterogeneous catalysis, particular in oxidation and dehydrogenation of alkanes, [14][15][16][17][18][19][20][21][22] and also in the oxidation of SO 2 to SO 3 (ref. 23) and the selective catalytic reduction (SCR) of nitric oxides.…”

Section: Introductionmentioning

confidence: 99%

“…22 Thin films of vanadia have been studied on several welldefined metal oxide surfaces like TiO 2 (110), [26][27][28][29][30] Al 2 O 3 , 6,7,31,32 CeO 2 , 21,[33][34][35][36] and many metal crystal surfaces. 9,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48][49][50] These studies provided opportunities for better understanding the relationships between the structures and catalytic activities, and the promotion effects of the supports. Especially, on single crystal metal surfaces, well-defined vanadia thin films can be grown.…”

Section: Introductionmentioning

confidence: 99%

Effects of O2 pressure on the oxidation of VOx/Pt(111)

Tang

Wang

Zhang

et al. 2013

Phys. Chem. Chem. Phys.

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Vanadium oxide (VO(x)) has been extensively used in many oxidation and selective oxidation reactions. In this study, VO(x) thin films were prepared in an ultra-high vacuum (UHV) chamber by evaporating V onto a Pt(111) surface followed by subsequent oxidation at 623 K in 1 × 10(-7) Torr O2, and further oxidized in the 'high-pressure' reaction cell with 1 Torr O2. The film quality and structure were investigated by high-resolution electron energy loss spectroscopy (HREELS), X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED), low energy ion scattering spectroscopy (LEIS), Auger electron spectroscopy (AES), and in situ infrared reflection absorption spectroscopy (IRAS). On the Pt(111) surface, VO(x) forms isolated O=VO(x) (x = 0-3) species, surface two-dimensional (2D) (2 × 2)-V2O3 domains, a bi-layer structure with a (3√3 × 6) arrangement, and a complicated tri-layer structure as the coverage increases from submonolayer to multilayer. Under the UHV conditions, the oxidation state of V is mainly +3 and the stability was found to be surface V2O3 > bi-layer V2O3 > tri-layer one. After exposing to 0.3-1 Torr O2, VO(x) can be oxidized to higher oxidation states, mainly V2O5, as evidenced by the shifts of the core-level binding energies and presence of V=O. These results indicate that thorough oxidation of VO(x) requires sufficiently high O2 pressure, and that vanadium-based catalysts may possess higher oxidation states under most reaction conditions in the presence of O2.

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“…A total o f 14 different structures with varying interlayer distances (five SM, five V = 0 , tw o DM, and two 0 3 [11,12,20,21]) w ere selected as start structures for the refinement. O ut o f all m odels, coordinates published by Czekaj, Herm ann, and W itko [20] for a V = 0 -term in ated surface led to the sm allest R factor after refinement (R = 0.12) [22].…”

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Surface Structure ofV2O3(0001)Revisited

et al. 2015

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In a recent paper [A. J. Window et al., Phys. Rev. Lett. 107, 016105 (2011)], it was proposed that V_{2}O_{3}(0001) is terminated by the so-called O_{3} termination, a reconstruction with a terminating distorted hexagonal oxygen layer. We show that the surface is terminated by vanadyl (V═O) groups instead. This conclusion is based on quantitative low-energy electron diffraction combined with scanning tunneling microscopy, fast atom scattering, and density functional theory employing the Heyd-Scuseria-Ernzerhof functional. New insights into the subsurface sensitivity of ion beam triangulation show that results previously interpreted in favor of the O_{3} termination are reconcilable with vanadyl termination as well.

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The structure of the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study

Cited by 19 publications

References 40 publications

Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study

Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study

Effects of O2 pressure on the oxidation of VOx/Pt(111)

Surface Structure ofV2O3(0001)Revisited

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The structure of the V2O3(0001) surface: A scanned-energy mode photoelectron diffraction study

Cited by 19 publications

References 40 publications

Surface Structure of V2O3(0001): A Combined I/V-LEED and STM Study

Surface Structure of V2O3(0001): A Combined I/V-LEED and STM Study

Effects of O2 pressure on the oxidation of VOx/Pt(111)

Surface Structure ofV2O3(0001)Revisited

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Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study

Surface Structure of V₂O₃(0001): A Combined I/V-LEED and STM Study