Molecular Spectroscopy of Oxide Catalyst Surfaces

Davydov, A. A.

doi:10.1002/0470867981

Cited by 387 publications

(594 citation statements)

References 0 publications

Supporting

Mentioning

559

Contrasting

Unclassified

Order By: Relevance

“…6 Formate adsorption on TiO 2 has been studied extensively. [8][9][10][11][12][13][14][15][16][17][18][19][20][21] Previous studies of adsorption of formic acid (HCOOH) on rutile TiO 2 (110) surfaces have shown that upon adsorption it dissociates into a formate ion (HCOO -) and a proton (H + ), which bind to lowcoordinated Ti and O surface atoms, respectively. 22,23 The adsorption structure of small molecules, such as HCOOH, can be studied favourably by infrared spectroscopy, and in particular infrared reflection-absorption spectroscopy (IRRAS) has been employed to study e.g.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Mattsson

Hermansson

et al. 2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study. Journal of Chemical Physics AbstractFormic acid (HCOOH) adsorption on rutile TiO 2 (110) has been studied by s-and p-polarized infrared reflection-absorption spectroscopy (IRRAS) and spin-polarized density functional theory together with Hubbard U contributions (DFT+U) calculations. To compare with IRRAS spectra, the results from the DFT+U calculations were used to simulate IR spectra by employing a three-layer model, where the adsorbate layer was modelled using Lorentz oscillators with calculated dielectric constants. To account for the experimental observations, four possible formate adsorption geometries were calculated, describing both the perfect (110) surface, and surfaces with defects; either O vacancies or hydroxyls. The binding energy was found to be E bind = 1.84 eV for the bridging bidentate formate species, which bonds with its IRRAS spectra measured on surfaces prepared to be either reduced, stoichiometric, or to contain surplus O adatoms, were found to be very similar. By comparisons with computed spectra, it is concluded that formate binds to in-plane Ti 5c atoms rather than to O vacancy sites. The results emphasize the importance of protonation and reactive surface hydroxylseven under UHV conditions -as reactive sites in e.g. catalytic applications.

show abstract

Section: Introductionmentioning

confidence: 99%

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Mattsson

Hermansson

et al. 2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…The small particle interaction takes place due to Ostwald ripening process and with high surface energy as shown in Fig. 5 (Mitra 2003;Davydov 2003;Zeng 2007).…”

Section: Sem Studiesmentioning

confidence: 99%

“…The nanoparticle agglomerates into several other primary particles which can be classified as secondary particles due to the presence of soft forces as well as hard forces as shown in Fig. 6 (Mitra 2003;Davydov 2003;Zeng 2007;Wang 2000a, b).…”

Section: Tem Studiesmentioning

confidence: 99%

Synthesis of nanostructured framework of novel ZnBaO2 nanopowder via wet chemical approach and hepatocytotoxicity response

et al. 2015

View full text Add to dashboard Cite

Wet synthetic process is an effective and facile method at low cost, environmentally benign process for easy scaling-up and then used for fabrication of multiutility devices. Self-assembling of nanobrick leads to architecture framework with new functional properties which help to make its vast applications as nanodevices with their intrinsic shape, size and functional properties. The bimetallic oxide nanostructure with phase structure was characterized by FTIR, UV-visible electronic absorption, XRD, thermal studies, SEM, TEM, DLS and fluorescence. Nanocrystalline ZnBaO 2 powder can be used due to its chemical stability and excellent transmission in the visible region. It was observed that the annealing rate plays an important role to redefine the structural and other physicochemical properties which finally help to change gel into crystalline functional properties with porosity. Wet chemical approach can be used for the synthesis of other metal oxide nanopowders which can be easily scale up for production level. Along with synthesis and characterization, we also assessed biological responses of human hepatocytes exposed to ZnBaO 2 nanopowder. Cell membrane permeability and ammonia detoxification were investigated against various concentrations of nanoparticles on in vitro cultured hepatocytes. Our results suggest that low concentrations (\40 lg/ml) of ZnBaO 2 nanopowder have no cytotoxic effect on hepatocytes viability, proliferation and detoxification, whereas concentrations above 40 lg/ml depict significant toxicity on cells.

show abstract

“…Carboxylate coordination can be used to probe the chemical properties of metal oxide surfaces [64]. In particular carboxylate coordination on TiO 2 has been extensively studied in the past (see Refs.…”

Section: Formic Acid Adsorptionmentioning

confidence: 99%

“…In particular carboxylate coordination on TiO 2 has been extensively studied in the past (see Refs. [64,65] and references therein). Ester bond formation and splitting of the surface-coordinated  as (OCO) and  s (OCO) vibrational modes have been used to classify the carboxylate bonding and adsorption sites.…”

Section: Formic Acid Adsorptionmentioning

confidence: 99%

Characterisation, phase stability and surface chemical properties of photocatalytic active Zr and Y co-doped anatase TiO2 nanoparticles

Mattsson

Lejon

Bakardjieva

et al. 2013

Journal of Solid State Chemistry

View full text Add to dashboard Cite

PostprintThis is the accepted version of a paper published in Journal of Solid State Chemistry. This paper has been peer-reviewed but does not include the final publisher proof-corrections or journal pagination. Citation for the original published paper (version of record):Mattsson, A., Lejon, C., Bakardjieva, S., Stengl, V., Österlund, L. (2013) Characterisation, phase-stability and surface chemical properties of photocatalytic active Zr and Y co-doped anatase TiO2 nanoparticles. The band gap is slightly blue-shifted at high doping concentrations, and red shifted at lower doping concentrations. Formic acid adsorption was used as a probe molecule to investigate surface chemical properties and adsorbate structures. It was found that the relative abundance of monodentate formate compared to bidentate coordinated formate decreases with increasing doping concentration. This is attributed to an increased surface acidity with increasing dopant concentration. Photodegradation of formic acid occurred on all samples. With mode-resolved in situ FTIR spectroscopy it is shown that the rate of photodegradation of monodentate formate species are higher than for bidentate formate species. Thus our results show that the trend of decreasing photo-degradation rate with increasing dopant concentration can be explained by the adsorbate structure, which is controlled by the acidity of the surface. Journal of Solid

show abstract

Molecular Spectroscopy of Oxide Catalyst Surfaces

Cited by 387 publications

References 0 publications

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Synthesis of nanostructured framework of novel ZnBaO2 nanopowder via wet chemical approach and hepatocytotoxicity response

Characterisation, phase stability and surface chemical properties of photocatalytic active Zr and Y co-doped anatase TiO2 nanoparticles

Contact Info

Product

Resources

About