Photocatalytic degradation of ethylene: An FTIR in situ study under atmospheric conditions

Hauchecorne, Birger; Tytgat, Tom; Verbruggen, Sammy W.; Hauchecorne, Dieter; Terrens, Dieter; Smits, Marianne; Vinken, Katrien; Lenaerts, Silvia

doi:10.1016/j.apcatb.2011.03.041

Cited by 48 publications

(21 citation statements)

References 24 publications

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“…Figure 3 and Table 1 show and summarize all four fully-optimized adsorption configurations and the corresponding adsorption modes of ethylene. x y z energy iscomparable to that physisorption energy range, indicating weak interaction is occurred between ethylene and TiO 2 surface [7].In order to investigate the effect of longrange interaction of ethylene-TiO 2 , dispersion-corrected density functional is also implemented in this study. The van der Waals interaction, which is the main driving force of the physisorption, is then included in our works.…”

Section: Grimme Is Used [54]mentioning

confidence: 99%

“…The interaction of olefins with various kinds of solid surfaces has been studied quite extensively over the last few decades [1][2][3][4][5][6]. Among many olefin-solid surface interaction systems, ethylene adsorption on solid surfaces is a topic that has attracted a great deal of interest, mainly due to its simplicity of structure and high reactivity [7]. Hence, ethylene adsorption can be regarded as a benchmark study in order to investigate the interaction involving olefin and solid surfaces.…”

Section: Introductionmentioning

confidence: 99%

“…Aside from the numerous studies that have been done onethylene adsorption on metal andtransition metal surfaces [6,[12][13][14][15][16][17][18], ethylene adsorption on metal oxide surface is a topic that also received quite significant amount of attention [9,[19][20][21][22]. In particular for ethylene interaction with TiO 2 , several studies -in which most of them are experimental works -have been carried out [7,9,19,20,[23][24][25]. In 1964, McLintock and Ritchie performed an experiment to study the photo-adsorption and oxidationof ethylene using TiO 2 as photocatalyst [23].…”

Section: Introductionmentioning

confidence: 99%

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Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

Shukri

Kasai

2014

Surface Science

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This work investigated the adsorption of C 2 H 4 (ethylene) on anatase TiO 2 (001) surface by means of first-principles calculation. Four adsorption configurations that correspond to two main types interaction of ethylene-solid surface, namely π-bonded and di-σ-bonded interaction, are studied. We found that ethylene adsorbed on top of unsaturated Ti 5c (five-fold coordinated Titanium) is the most stable configuration and this configuration corresponds to the π-bonded interaction. For the most stable configuration, the adsorption energy is calculated to be ~-0.2 eV(0.49 eV with vdW correction) and ethylene retains its initial sp 2 planar configuration upon adsorption. Vibrational frequency analysis shows that some small modifications are observed for each reported vibrational modes of ethylene. These findings suggest that ethylene is weakly adsorbed on clean TiO 2 surface and vdW interaction is found to have a significant contribution to the total binding energy of ethylene.

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Section: Grimme Is Used [54]mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

Shukri

Kasai

2014

Surface Science

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“…The reaction mechanism of the photocatalytic oxidation of ethylene over titania has been investigated using a purpose-built in situ reactor [25] using 12 UV LEDs (310-400 nm) to irradiate the catalyst with an intensity of about 4.9 mW cm −2 . This reactor allowed the inspection of the catalytic surface at the moment the reactions actually occur, providing new exciting insights into the reaction pathway of the photocatalytic ethylene oxidation.…”

Section: Hydrocarbon Oxidationmentioning

confidence: 99%

“…The appearance of characteristic bands at 1382 cm −1 , δ(CH), and 1706 cm −1 , υ(C=O), also points to the formation H-bonded formic acid species. CO 2 and H 2 O are found as final reaction products of the photocatalytic oxidation process (Scheme 4.2) [25]. The surface intermediates formed in the photocatalytic oxidation of propane has been investigated over anatase, rutile, and mixed-phase anatase-rutile TiO 2 nanoparticles [26].…”

Section: Hydrocarbon Oxidationmentioning

confidence: 99%

In SituStudies on Photocatalytic Materials, Surface Intermediates, and Reaction Mechanisms

Kosslick

Tuấn

Bahnemann

2013

Heterogeneous Catalysts for Clean Technology

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IntroductionIncreasing industrialization, worldwide population growth, and urbanization lead to a rapidly growing demand for clean water. Shortage of water resources combined with increasing contamination of water from industry, agriculture, and households requires the development of efficient technology for clean water supplies [1][2][3][4]. Photocatalysis with heterogeneous catalysts is an attractive technology of great potential for remediation of polluted water. It requires no additional chemicals and may operate with sunlight with the catalysts easily recovered and reused. However, this technology still suffers from some severe shortcomings such as low efficiency, quantum yield, use of energy by limited use of the spectral range of light, and rapid deactivation. The development of advanced photocatalysts by rational design requires an improved understanding of underlying processes regarding charge separation and transfer in the photosemiconductors, the formation of intermediates, reaction mechanisms, and proceeding deactivation processes. Despite the huge number of photocatalytic investigations, these problems remained unsolved. Common investigation methods are performed under ''ideal'' conditions in order to avoid interferences in analysis and focus on main products. In situ investigations are a key to improve the understanding of the basics of heterogeneous photocatalytic processes markedly. This contribution focuses, therefore, on in situ investigations of heterogeneous photocatalytic systems for oxidative depollution of water or related selective oxidation of organics. So far, Fourier transform infrared (FTIR) and electron paramagnetic resonance (EPR) techniques play an important role both because of the achieved experimental level and added value of information about the nature of formed surface intermediates and reaction products as well as on charge separation and electron and hole formation/transfer and nature of active sites and reactive radicals present or formed during the photocatalytic reaction. Electrochemical methods for photocatalyst characterization are not included. The application of surface science methods for photocatalyst characterization [5] and new materials for heterogeneous water splitting have been reviewed in detail recently [6]. Background information achieved with common methods regarding Heterogeneous Catalysts for Clean Technology: Spectroscopy, Design, and Monitoring, First Edition. Edited

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In Situ Spectroscopy for Mechanistic Studies in Semiconductor Photocatalysis

Hofmann

2021

Heterogeneous Photocatalysis

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Photocatalytic degradation of ethylene: An FTIR in situ study under atmospheric conditions

Cited by 48 publications

References 24 publications

Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

Density functional theory study of ethylene adsorption on clean anatase TiO2 (001) surface

In SituStudies on Photocatalytic Materials, Surface Intermediates, and Reaction Mechanisms

In Situ Spectroscopy for Mechanistic Studies in Semiconductor Photocatalysis

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