Origin of XPS binding energy shifts in Ni clusters and atoms on rutile TiO2 surfacesphotoelectron spectroscopytitanium oxidenickelcluster-size effectCluster-size-dependent binding energy (BE) shifts of Ni 2p 3/2 spectra in Ni clusters with respect to bulk Ni metal have been studied as a function...
parameter and taking into account the usually neglected Coulomb correlation shift in the Auger final state (M4,5M4,5) it is shown that the initial state shift is comparable to the measured XPS shift while the final state relaxation shift contributes only marginally to the binding energy shift. ...
我想用ORCA或者Gaussian计算XPS和其相关的core-levelbindingenergy shift。对于实验上的XPS能谱可以看到峰的...
Metson, J. B. Charge compensation and binding energy referencing in XPS analysis.Surf. Interface Anal.27, 1069–1072 (1999). ArticleCASGoogle Scholar Baer, D. R. et al. XPS guide: charge neutralization and binding energy referencing for insulating samples.J. Vac. Sci. Technol. A38, 031204...
to a shift in the XPS spectrum. In the accompanying table, the fractional Si charge, r, is given for six molecular species (in units of elementary charge e). The first four are still bound to the surface (suggested by the single or double bonds shown on the Si) while the last two ...
Density Functional Theory Calculations of Xps Binding Energy Shift for Nitrogen-Containing Graphene-Like Structures. Chem. Commun. 2013, 49, 2539-2541.Pyly... S Pylypenko,S Mukherjee,TS Olson,... - 《Electrochimica Acta》 被引量: 212发表: 2008年 Density functional theory study of phase IV ...
P. Calibration of the X‐ray photoelectron spectroscopy binding energy scale for the characterization of heterogeneous catalysts: is everything really under control? ChemPhysChem 14, 3618–3626 (2013). Article CAS PubMed Google Scholar Yamashita, T. & Hayes, P. Analysis of XPS spectra of Fe2+...
Determination of the Shift of Binding Energy of XPS by Wavelet Transform[J]. Chinese Journal of Analysis Laboratory, 1999, 18: 18–21 CAS Google Scholar Seah MP. Summary of ISO/TC 201 Standard: VII ISO 15472: 2001-surface Chemical Analysis-X-ray Photoelectron Spectrometers-calibration of Ener...
theory) calculations on many molecular configurations that might possibly be involved in the reaction at the surface. From these calculations, they determined the fractional charge that resides on the Si atom in each case. It is this variable charge that leads to a shift in the XPS spectrum...
3.Calculation ofcohesive energyof alloyed Austenite by interatomic pair potential;原子间相互作用对势计算合金奥氏体结合能 3)Binding energies结合能 1.Based on the modified potential, its phase shift of ∧-P elastic scattering,and the A binding energies of hypernuclei Li,Be,B,B,C,N,O and O ...