scholarly journals On the prediction of core level binding energies in molecules, surfaces and solids

2018 ◽  
Vol 20 (13) ◽  
pp. 8403-8410 ◽  
Author(s):  
Francesc Viñes ◽  
Carmen Sousa ◽  
Francesc Illas
Keyword(s):  
Photoelectron Spectroscopy ◽  
State Of The Art ◽  
Binding Energies ◽  
Core Level ◽  
Chemical Environment ◽  
X Ray ◽  
Unique Information

Core level binding energies, measured by X-ray photoelectron spectroscopy providing unique information regarding the chemical environment of atoms in a system, can be estimated by a diversity of state-of-the-art accurate methods here detailed.

Characterization of Oxidized Nickel (II) Dimethylglyoxime Using X-Ray Photoelectron Spectroscopy

1987 ◽  
Vol 41 (6) ◽  
pp. 994-1000 ◽  
Author(s):  
V. Y. Young ◽  
F. C. Chang ◽  
K. L. Cheng
Keyword(s):  
Oxidation State ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
Solution Phase ◽  
Intensity Data ◽  
X Ray ◽  
Complex Core

X-ray photoelectron spectroscopy has been used to determine the oxidation state of nickel in the oxidized nickel (II) dimethylglyoxime complex. Core level binding energies for the Ni(2p), N(1s), and O(1s) levels; the presence or absence of shake-up satellites on the Ni(2p) levels; and the analysis of intensity data are consistent only with an assignment of +3. Structures consistent with the data are proposed for both the solid-and the solution-phase complexes.

Impurities in SiO2: Atomic States of Phosphorus and Arsenic

1986 ◽  
Vol 82 ◽  
Author(s):  
H. E. Rhodes ◽  
G. Apai
Keyword(s):  
Binding Energy ◽  
Silicon Dioxide ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
X Ray ◽  
Impurity Atoms ◽  
Atomic States ◽  
Energy Signal ◽  
State 1

ABSTRACTWe have studied the atomic states of arsenic (As) and phosphorus (P) in SiO2 using X-ray photoelectron spectroscopy (XPS). Silicon dioxide implanted with As or P shows multiple XPS core level peaks corresponding to the impurity atoms located in two distinct atomic sites. The binding energies of the two arsenic 3d core levels occur at 45.8 and 42.3 eV and the two phosphorus 2p core levels occur at 134.7 and 130.3 eV. When the implanted oxides are annealed in an oxygen ambient between 900°C and 950°C, only the highbinding- energy peaks of P and As are observed. This identifies the highbinding- energy core level peaks as being associated with the impurity (P or As) on silicon sites. Annealing in nitrogen at 950° C results in an increase in the low-binding-energy signal. The low-binding-energy peaks are associated with the impurity (P or As) bonded to silicon neighbors. The relative amounts of dopants in silicon and oxygen sites depend on ambient purity and processing details. Reference to previous work shows that the presence of As or P on silicon sites in SiO2 corresponds to a fast diffusing state whereas As or P on oxygen sites corresponds to a slow diffusing state [1].

scholarly journals Core-Level Photoemission From Stoichiometric GaN(0001)-1×1

2005 ◽  
Vol 10 ◽  
Author(s):  
S.M. Widstrand ◽  
K.O. Magnusson ◽  
L.S.O. Johansson ◽  
E. Moons ◽  
M. Gurnett ◽  
...  
Keyword(s):  
Binding Energy ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
Complex Structures ◽  
Dangling Bond ◽  
X Ray ◽  
The Core ◽  
Slight Excess ◽  
Bulk Gan

We report on a high-resolution x-ray photoelectron spectroscopy (HRXPS) study using synchrotron radiation, for the identification of the core level binding energies of Ga 3d and N 1s, from a stoichiometric Ga-polar GaN(0001)-1×1 sample.Three surface shifted components were found on the stoichiometric surface for the Ga 3d feature. The first surface shifted component has a higher binding energy of 0.85 eV, and is interpreted as surface Ga with one of the N bonds replaced by an empty dangling bond. This structure is belonging to the stoichiometric clean and ordered Ga-polar GaN(0001)-1×1 surface. The second, with a binding energy relative the bulk of −0.76 eV, is interpreted as Ga with one of the bonds to a Ga atom, which indicates a slight excess of Ga on the surface. The third surface shifted component is shifted by 2.01 eV and is related to gallium oxide in different configurations.The N 1s feature is complex with five surface shifted components relative the bulk were found. Two components with binding energy shifts of −0.54 eV and 0.47 eV are interpreted as surface shifted core levels from the stoichiometric, clean Ga-polar GaN(0001)-1×1 surface.We also analysed the Ga 3d spectrum after deposition of 1.5 ML of Ga on a stoichiometric surface. The surface shift for the Ga 3d5/2 component from the Ga overlayer is −1.74 eV relative the bulk GaN.The C 1s and O 1s core levels from remaining surface contamination have also been line shaped analysed and show complex structures.

scholarly journals Precise determination of surface band bending in Ga-polar n-GaN films by angular dependent X-Ray photoemission spectroscopy

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Yanfei Zhao ◽  
Hongwei Gao ◽  
Rong Huang ◽  
Zengli Huang ◽  
Fangsen Li ◽  
...  
Keyword(s):  
Electrostatic Potential ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
Level Energy ◽  
Linear Potential ◽  
Surface Band ◽  
Band Bending ◽  
X Ray ◽  
Bending Effect

AbstractWe present a systematic study of surface band bending in Ga-polar n-GaN with different Si doping concentrations by angular dependent X-ray photoelectron spectroscopy (ADXPS). The binding energies of Ga 3d and N 1 s core levels in n-GaN films increase with increasing the emission angle, i. e., the probing depth, suggesting an upward surface band bending. By fitting the Ga 3d core level spectra at different emission angles and considering the integrated effect of electrostatic potential, the core level energy at the topmost surface layer is well corrected, therefore, the surface band bending is precisely evaluated. For moderately doped GaN, the electrostatic potential can be reflected by the simply linear potential approximation. However, for highly doped GaN samples, in which the photoelectron depth is comparable to the width of the space charge region, quadratic depletion approximation was used for the electrostatic potential to better understand the surface band bending effect. Our work improves the knowledge of surface band bending determination by ADXPS and also paves the way for studying the band bending effect in the interface of GaN based heterostructures.

STUDY OF Ba CORE LEVEL BINDING ENERGIES IN A YBa2Cu3O~7 THIN FILM

1993 ◽  
Vol 07 (08) ◽  
pp. 555-564 ◽  
Author(s):  
P. SRIVASTAVA ◽  
N. L. SAINI ◽  
B. R. SEKHAR ◽  
S. K. SHARMA ◽  
H. S. CHAUHAN ◽  
...  
Keyword(s):  
Thin Film ◽  
Binding Energy ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
Energy Component ◽  
Xps Spectra ◽  
X Ray ◽  
Energy Components

A thin film of superconducting YBa 2 Cu 3 O ~7 (YBCO) system (Tc ~ 89 K ) has been studied by x-ray photoelectron spectroscopy (XPS) to investigate the core level electronic structure. The Ba 3d and 4d core level XPS spectra show three binding energy components with the high binding energy component originating from the non-superconducting surface of the system. The role of oxygen ordering/disordering has been discussed to explain the origin of the other two bulk-dependent components. An attempt has been made to resolve some of the discrepancies in the Ba core level spectra reported earlier.

Characterizing the Thermomechanical Degradation of a Filled Elastomer by Morphology and X Ray Photoelectron Spectroscopy

2001 ◽  
Vol 702 ◽  
Author(s):  
Giovanni F Crosta ◽  
Art J Nelson ◽  
Marina C Camatini
Keyword(s):  
Photoelectron Spectroscopy ◽  
Intrinsic Property ◽  
Binding Energies ◽  
Structural Domain ◽  
X Ray ◽  
Vulcanized Rubber ◽  
A Value ◽  
Debris Particles ◽  
Morphological Descriptor ◽  
Microscopy Images

ABSTRACTThree types of debris particles, denoted by L2, H2 and K3 respectively, originated from the abrasion of silica-filled, vulcanized rubber under different test conditions (severity) were analyzed and compared. The structural fractal dimension, DFS, of the particle perimeter was chosen as a morphological descriptor (but not necessarily as an intrinsic property of the fractured material !). Said dimension was estimated by processing light microscopy images. A value of the morphological threshold, TST, which separates the textural from the structural domain in the RICHARDSON plot was determined in order to maximize discrimination between the three particle types and rank them by increasing values of DFS. Particles from the highest severity test (K3) exhibited the highest value of DFS. X ray photoelectron spectroscopy (XPS) provided elemental composition, core level binding energies and the speciation of C, N, O, Si and S. As a result, L2 debris was found to originate from two processes: fracture of rubber and segregation of extender oil. Evidence has come both from morphology and XPS. Particles of H2 and K3 were ascribed to fracture alone. Comparison between K3 and the reference material, rasped rubber (RAS), shows the following: a) increase of the [S]/[C] surface atomic concentration ratio from RAS to K3; b) existence of multiple bonding states of S in K3 with energy peaking at 162.9 ± 0.3 eV ([-S-S-]n); c) weak contribution of R-S-O-R oxidized S species in K3 at 165 eV, not seen in RAS; d) no evidence of either SO3 or SO4 groups in any material. Although preliminary, these results prove the ability of morphological analysis and XPS to characterize the surface properties of debris particles non destructively.

Electronic structure modification in Fe substituted β-Ga2O3 from resonant photoemission and soft x-ray absotption spectroscopies

2021 ◽  
Author(s):  
Sahadeb Ghosh ◽  
Mangala Nand ◽  
Rajiv Kamparath ◽  
Mukul Gupta ◽  
Devdatta M Phase ◽  
...  
Keyword(s):  
Thin Films ◽  
Photoelectron Spectroscopy ◽  
Rf Magnetron Sputtering ◽  
Binding Energies ◽  
Transfer System ◽  
Structure Modification ◽  
X Ray ◽  
Resonant Photoemission ◽  
A Charge ◽  
Fe Substitution

Abstract Oriented thin films of β-(Ga1-xFex)2O3 have been deposited by RF magnetron sputtering on c-Al2O3 and GaN substrates. The itinerant character of Fe 3d states forming the top of the valence band (VB) of Fe substituted of β-Ga2O3 thin films has been determined from resonant photoelectron spectroscopy (RPES). Further, admixture of itinerant and localized character of these Fe 3d sates is obtained for larger binding energies i.e deeper of VB. The bottom of the conduction band (CB) for β-(Ga1-xFex)2O3 is also found to be strongly hybridized states involving Fe 3d and O 2p states as compared to that of Ga 4s in pristine β-Ga2O3. This suggests that β-Ga2O3 transforms from band like system to a charge transfer system with Fe substitution. Furthermore, the bandgap red shits with Fe composition, which has been found to be primarily related to the shift of the CB edge.

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