On the adsorption of CO on Pt(111)

Steininger, Harald; Lehwald, S.; Ibach, H.

doi:10.1016/0039-6028(82)90328-4

Cited by 571 publications

(298 citation statements)

References 28 publications

Supporting

Mentioning

254

Contrasting

Order By: Relevance

“…This result is certainly disappointing, and we will return to it in the conclusions. For Pt(111), experimental values are in the range of −1.71 to −1.43 eV, 62,63,64 which compare reasonably well with the PBE value. Again the hybrid functionals clearly worsen the agreement with experiment.…”

Section: Co Adsorption: Energetics and Structural Propertiessupporting

confidence: 70%

“…4 for CO on Rh), whereas experimentally it is found that CO adsorbs at the top site with the carbon end down at low coverage on all three substrates. 5,6,7,8 In all fairness, it must be emphasized that some local basis set codes (specifically DMOL and ADF) seem to give the proper site order for Pt. 9,10 The reason for the discrepancy between local basis set codes and plane wave codes is not yet entirely understood, but it is likely to be related to the different treatment of relativistic effects or basis sets.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

et al. 2007

View full text Add to dashboard Cite

Section: Co Adsorption: Energetics and Structural Propertiessupporting

confidence: 70%

Section: Introductionmentioning

confidence: 99%

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

et al. 2007

View full text Add to dashboard Cite

“…The low temperature signal resembles the one measured with the same experimental setup on the Pt(111) single crystal used as a substrate for the oxide film. The desorption signals at ~ 400 and ~ 480 K are usually rationalized as CO adsorbing on Pt(111) terraces and low-coordination sites (such as steps, kinks and particle edges), respectively [26][27][28][29]. However, the cross-analysis of STM and TPD data presented in Fig.…”

Section: Resultsmentioning

confidence: 99%

Morphology and CO adsorption on platinum supported on thin Fe₃O₄(111) films

Qin¹,

Lewandowski²,

Sun³

et al. 2009

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Nucleation, growth and thermal stability of Pt particles supported on well-ordered Fe 3 O 4 (111) thin films grown on Pt(111) were studied by scanning tunneling microscopy (STM) and temperature programmed desorption (TPD) of CO. STM studies showed that Pt grows through the formation of single layer islands that coalesce at high coverage. Vacuum annealing at 600 K caused Pt sintering and the formation of extended two-dimensional (2D) islands of one and two layers in thickness at sub-monolayer coverage. Well-faceted, three-dimensional (3D) Pt nanoparticles formed by annealing to temperatures above 800 K were encapsulated by a FeO (111) monolayer. These results were rationalized in terms of the high adhesion energy for Pt on iron oxide surfaces. CO TPD studies showed that 2D-structures, formed at 600 K, exhibit much lower CO adsorption capacity as compared to the Pt(111) single crystal surface. The effect has been tentatively assigned to lattice expansion in the Pt 2D-islands leading to weakening of the Pt-CO bond due to reduction of the Pt-> CO π * back donation.

show abstract

“…20 Moreover, frustrated translations have been proposed to respond to the presence of step sites on halides and oxides, 21 as well as librational modes were reported to be more sensitive than the internal CO stretching to the structure of carbonylic complexes in zeolites. 22 Direct evidence for some of the external modes can be obtained on single crystals by electron energy loss spectroscopy (EELS) 23 or helium-atom scattering (HAS) both on metals 24 and oxides. 25 In principle, such information may also be deduced by IR, provided the availability of sources bright enough in the Far-IR region, as synchrotron radiation is.…”

Section: Introductionmentioning

confidence: 99%

Surface features of TiO2 nanoparticles: combination modes of adsorbed CO probe the stepping of (101) facets

Deiana

Tabacchi

Maurino

et al. 2013

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Integrated studies of CO adsorption on TiO 2 materials of different morphology and surface complexity identify, for the first time, frustrated translational CO modes by detecting their combination with the CO stretching mode (νCO). All the considered materials exhibit IR spectra with low-intensity bands in the 2235-2205 cm -1 range, a region where components due to strong Lewis acid Ti 4+ sites may be present as well. These observations lead to a powerful method for associating high-wavenumber bands to TiO 2 surface features and interpreting IR spectra of drastically complex/defective TiO 2 materials. The proposed band assignment is based on vibrational analyses of CO/TiO 2 theoretical models, indicating that the frustrated translational mode with frequency in the 30-50 cm -1 range involved in the observed combination bands is perpendicular to the Ti 4+ rows. Our results reveal that this low-energy CO mode is much more sensitive than νCO in probing the TiO 2 surface topography, and that its higher-energy components can be specifically associated to the presence of steps on the (101) faces. In a broader perspective, the frustrated translational CO mode surface sensitivity could become a key tool for detecting specific defective sites on TiO 2 surfaces.

show abstract

On the adsorption of CO on Pt(111)

Cited by 571 publications

References 28 publications

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

Morphology and CO adsorption on platinum supported on thin Fe₃O₄(111) films

Surface features of TiO2 nanoparticles: combination modes of adsorbed CO probe the stepping of (101) facets

Contact Info

Product

Resources

About

On the adsorption of CO on Pt(111)

Cited by 571 publications

References 28 publications

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

Morphology and CO adsorption on platinum supported on thin Fe3O4(111) films

Surface features of TiO2 nanoparticles: combination modes of adsorbed CO probe the stepping of (101) facets

Contact Info

Product

Resources

About

Morphology and CO adsorption on platinum supported on thin Fe₃O₄(111) films