2014
DOI: 10.1002/chem.201402102
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Defects in Surface Chemistry—Reductive coupling of Benzaldehyde on Rutile TiO2(110)

Abstract: The surface chemistry of oxygen and oxygenates on Rutile TiO2(110) is of great interest for various applications such as heterogeneous catalysis and photo catalysis. Though it is generally accepted that surface defects are active sites, the role of subsurface defects is under debate. We have therefore investigated the influence of the bulk defect density on the reductive coupling of benzaldehyde to stilbene as a model system. Using IRRAS we identify stilbene diolate as a reduction intermediate. The concentrati… Show more

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Cited by 27 publications
(41 citation statements)
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“…The interstitials subsequently drive the reduction to stilbene. 14,25 Theoretically, the largest stabilization of formaldehyde on a reduced surface is by Ti interstitials forming an η 2 (O Ti ,C Ob )-dioxymethylene, which binds to a Ti atom and a nearby O b . 9 This configuration is much more favorable than the most stable configuration of formaldehyde on a V O site, an η 2 (O Vo ,C Ob )-dioxymethylene, which binds to two O b 's.…”
Section: Introductionmentioning
confidence: 99%
“…The interstitials subsequently drive the reduction to stilbene. 14,25 Theoretically, the largest stabilization of formaldehyde on a reduced surface is by Ti interstitials forming an η 2 (O Ti ,C Ob )-dioxymethylene, which binds to a Ti atom and a nearby O b . 9 This configuration is much more favorable than the most stable configuration of formaldehyde on a V O site, an η 2 (O Vo ,C Ob )-dioxymethylene, which binds to two O b 's.…”
Section: Introductionmentioning
confidence: 99%
“…11,12 By now, defects such as oxygen vacancies, Ti 3+ interstitials and other reduced sites are recognized to be an essential key to increase and further control the reactivity in thermal reactions towards oxygen and oxygen-containing molecules. [13][14][15][16][17][18][19][20] Their role in photochemical reactions, however, has not been studied so intensively in comparison. 4,5,[21][22][23] Therefore, we first focus on the methanol photochemistry on a rutile TiO 2 (110) surface as a function of the Ti 3+ content.…”
Section: Introductionmentioning
confidence: 99%
“…Interstitial Ti promotes the dimerization of benzaldehyde on reduced TiO 2 (110) as shown using scanning tunnelling microscopy (STM) and density functional theory (DFT) (Figure ) [45]. More recently, we used infrared spectroscopy to identify the diolate intermediate and to demonstrate a direct correlation of the amount formed and the degree of bulk reduction of the titania, providing further evidence for the key role of subsurface defects in promoting the formation of this intermediate [46]. The origin of this effect is that Ti interstitials present in the subsurface region donate charge to Ti 4+ on the surface, leading to partial reduction.…”
Section: Defects and Photochemistrymentioning
confidence: 80%