Exploiting XPS for the identification of sulfides and polysulfides

RSC Advances ◽  
2015 ◽  
Vol 5 (93) ◽  
pp. 75953-75963 ◽  
Author(s):  
Marzia Fantauzzi ◽  
Bernhard Elsener ◽  
Davide Atzei ◽  
Americo Rigoldi ◽  
Antonella Rossi
Keyword(s):  
Curve Fitting ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Auger Spectra ◽  
First Time

The identification of surface sulfide and polysulfide species based on the curve fitting of S2p photoelectron spectra and, for the first time, of X-ray excited S KLL Auger spectra has been performed.

New interpretation and approach to curve fitting synchrotron X-ray photoelectron spectra of (Fe,Ni)9S8 fracture surfaces

2020 ◽  
Vol 504 ◽  
pp. 144458 ◽  
Author(s):  
Zoe E. Pettifer ◽  
Jamie S. Quinton ◽  
William M. Skinner ◽  
Sarah L. Harmer
Keyword(s):  
Curve Fitting ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Fracture Surfaces ◽  
New Interpretation

scholarly journals Curve fitting complex X-ray photoelectron spectra of graphite-supported copper nanoparticles using informed line shapes

2020 ◽  
Vol 505 ◽  
pp. 143841 ◽  
Author(s):  
Vincent Fernandez ◽  
Daniyal Kiani ◽  
Neal Fairley ◽  
François-Xavier Felpin ◽  
Jonas Baltrusaitis
Keyword(s):  
Copper Nanoparticles ◽  
Curve Fitting ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Line Shapes

Analysis of X-ray Photoelectron Spectra through Their Even Derivatives

1979 ◽  
Vol 33 (5) ◽  
pp. 502-509 ◽  
Author(s):  
Attila E. Pavlath ◽  
Merle M. Millard
Keyword(s):  
Curve Fitting ◽  
Photoelectron Spectroscopy ◽  
Least Square ◽  
Photoelectron Spectra ◽  
Original Position ◽  
Noise Background ◽  
X Ray ◽  
Fitting Procedures ◽  
Higher Derivatives ◽  
Derivatives Of

The analysis of organic and inorganic surfaces can be carried out very effectively with the aid of x-ray photoelectron spectroscopy. In many cases, however, the presently available methods and techniques for data treatment resolutions are not suitable for the qualitative and quantitative identification of the various forms of a given atom on the same surface. The number of components and a good approximation of their original position in the composite curve must be known to use the available curve fitting procedures, otherwise the evaluation can be unreliable. It is suggested that the second and higher even derivatives of the composite could provide these data. The possibility of applying even derivatives of composite curves in combination with a nonlinear least square curve fitting program was investigated. It was found that depending on the noise background of the spectra, the resolution could be improved through this method. The resolution is dependent on the half-width of the component curves, their separation, and ratio. Both Gaussian and Lorentzian curves can be resolved, but the resolution of the latter is easier. The resolution is increasing with higher derivatives; however, increased smoothing must be applied at each step to neutralize the influence of the noise background.

scholarly journals Least squares curve fitting in Mo3d X-ray photoelectron spectra for determination of oxidation states of supported molybdenum catalysts.

1989 ◽  
Vol 38 (2) ◽  
pp. 65-71
Author(s):  
Natsuo FUKUMOTO ◽  
Isao KOJIMA ◽  
Masayasu KURAHASHI ◽  
Hiromichi SHIMADA ◽  
Akio NISHIJIMA
Keyword(s):  
Least Squares ◽  
Curve Fitting ◽  
Photoelectron Spectra ◽  
Oxidation States ◽  
X Ray ◽  
Molybdenum Catalysts ◽  
Least Squares Curve Fitting ◽  
Fitting In

X-ray photoelectron spectra of C6F5X compounds (X = CH3, CF3, CN, CHO, OH, OCH3, NH2, NO2)

1978 ◽  
Vol 56 (4) ◽  
pp. 538-542 ◽  
Author(s):  
Barry C. Trudell ◽  
S. James W. Price
Keyword(s):  
Gas Phase ◽  
Curve Fitting ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Atomic Charges ◽  
X Ray ◽  
Wide Range ◽  
Charge Calculations

The gas phase photoelectron spectra, XPS, were observed for the series C6F5X (X = CH3, CF3, OCH3, OH, CHO, NO2, NH2, CN). Binding energies were determined from the spectra by using computer curve fitting. Charge calculations were carried out using CNDO/2 and ACHARGE techniques. The CNDO/2 analysis led to the following correlation for the C 1s binding energies and the atomic charges, qi[Formula: see text]Correlations were also obtained for O 1s and N 1s:[Formula: see text]These equations are based on only four and three points respectively. However, the N 1s values cover a wide range (Ei, 402 to 419 eV; qi, −0.2 to 0.5) and show a better correlation than those for oxygen.

scholarly journals Valence electronic state density in thorium dioxide

2008 ◽  
Vol 23 (2) ◽  
pp. 34-42 ◽  
Author(s):  
Anton Teterin ◽  
Mikhail Ryzhkov ◽  
Yury Teterin ◽  
Labud Vukcevic ◽  
Vladimir Terekhov ◽  
...  
Keyword(s):  
Electronic State ◽  
State Density ◽  
Molecular Orbitals ◽  
Photoelectron Spectra ◽  
Spectral Structure ◽  
Discrete Variation ◽  
Thorium Dioxide ◽  
X Ray ◽  
Electronic State Density ◽  
First Time

This work analyses the fine low energy (0-40 eV) X-ray photoelectron spectra of ThO2, taking into account relativistic X?-discrete variation electronic structure calculations for the ThO8 (D4h) cluster reflecting thorium's close environment in ThO2. As a result, it was theoretically shown and experimentally confirmed that Th5f electrons in ThO2 can participate directly (~0.6 Th5f electrons) in chemical bond formation.Th6p electrons were shown to be a significant part (~0.44 Th6p electrons) not only of inner valence molecular orbitals, but to play a significant role in outer valence molecular orbitals formation, as well. Inner valence molecular orbitals composition and sequent order were established to belong to the binding energy range of 13 eV to 40 eV. The valence electronic state density in the range of 0-40 eV in ThO2 was also calculated. For the first time, these data allowed an interpretation of the fine X-ray photoelectron spectra (0-40 eV) and high resolution O4,5(Th) X-ray emition spectral structure (~60 - ~85 eV) of ThO2.

Band offsets at the ZnSe / CuInS2 interface

2005 ◽  
Vol 865 ◽  
Author(s):  
O. Papathanasiou ◽  
S. Siebentritt ◽  
I. Lauermann ◽  
T. Hahn ◽  
H. Metzner ◽  
...  
Keyword(s):  
Thin Film ◽  
Band Alignment ◽  
Photoelectron Spectra ◽  
Thin Film Solar Cells ◽  
Band Offset ◽  
Valence Band Offset ◽  
Promising Alternative ◽  
X Ray ◽  
Laboratory Source ◽  
First Time

AbstractZnSe has been shown to be a promising alternative buffer in CuInS2 thin film solar cells. Here we present for the first time photoemission measurements to determine the band alignment at the ZnSe/CuInS2 interface. Epitaxial CuInS2 is used as a substrate. ZnSe is deposited in varying thicknesses by MOCVD. X-ray photoelectron spectra are measured with an Mg laboratory source and with synchrotron radiation. A valence band offset of 0.4+/-0.1eV is obtained.

X-Ray Photoelectron Study of Surface of Superconductive Y-Ba-Cu-O as Dependent on Cleaning, Temperature, Composition and Doping

1998 ◽  
Vol 05 (01) ◽  
pp. 347-351 ◽  
Author(s):  
I. N. Shabanova ◽  
O. V. Popova ◽  
V. I. Kukuev ◽  
V. I. Kormilets
Keyword(s):  
High Temperature Superconductor ◽  
Sample Surface ◽  
Photoelectron Spectra ◽  
Main Role ◽  
X Ray ◽  
Superconductive State ◽  
Photoelectron Study ◽  
First Time ◽  
Electron Magnetic Spectrometer

The core level X-ray photoelectron spectra of the high-temperature superconductor system YBa 2 Cu 3 O x are studied in dependence on the oxygen composition x, temperature of the sample, doping by Ag and quality of cleaning the sample surface. Nowadays there are many X-ray photoelectron investigations, but comparative investigations of electron structure in superconductive and unsuperconductive states are absent in the majority of them. The X-ray electron magnetic spectrometer used in our work allows one to obtain spectra in the temperature range from room temperature to the temperature of liquid nitrogen with simultaneous mechanical cleaning of the sample surface from the contaminations and degraded layers. Thus the obtained results are unique and allow one to obtain for the first time the following conclusions. Three charge states of copper atoms are shown to exist in this system — Cu 1+, Cu 2+ and Cu 3+ — but only the Cu 2+ state plays the main role in the transition of the system to the superconductive state. New peaks arise in O1s, Ba3d and Ba4d spectra after the transition of the system to the superconductive state, which implies the changes in the surroundings of O and Ba atoms in this state. In Ag-doped samples similar changes in X-ray photoelectron spectra are observed and they are even more pronounced than in the undoped ones.

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