An ESCA Investigation of some Halogeno(methyl)-Silane and -Germane Series

1975 ◽  
Vol 53 (23) ◽  
pp. 3602-3612 ◽  
Author(s):  
John E. Drake ◽  
Chris Riddle ◽  
L. Coatsworth
Keyword(s):  
Binding Energy ◽  
Chemical Shifts ◽  
Binding Energies ◽  
Core Level ◽  
Atomic Charges ◽  
Electronegativity Equalization

Core-level binding energies of all atoms are reported for two series of compounds; MenMCl4−n and Me3MX (n = 0 → 4, M = Si or Ge, X = F, Cl, Br, I and (for M = Ge) CN, N3, and NCS ). Binding energy shifts are discussed using a 'whole-molecule' approach and are correlated with estimated atomic charges derived from an electronegativity-equalization procedure. Carbon 1s binding energies are also correlated to 13C n.m.r. chemical shifts.

O 1s Core-Level Positions of Bi2Sr2CaCu2O8-x by OKα-Ray Emission

1989 ◽  
Vol 44 (9) ◽  
pp. 780-784
Author(s):  
F. Burgäzy ◽  
C. Politis ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Binding Energy ◽  
Energy Level ◽  
Photoelectron Spectrum ◽  
Local Density ◽  
Binding Energies ◽  
Core Level ◽  
X Ray ◽  
Band Structure Calculations ◽  
Density Band ◽  
Structure Calculations

Abstract The measured O Kα X-ray emission spectrum of the high-Tc superconductor Bi2Sr2CaCu2O8-x is compared with a spectrum based on local density band structure calculations. By taking also into account the shape of the measured O 1s X-ray photoelectron spectrum an energy level diagram for the O 1s core-level binding energies of the three different oxygen sites is constructed. The O 1s binding energy in the Bi2O2-layers is found to be about the same as that one in the SrO-layers, whereas the binding energy in the CuO2-layers is lower by about 0.5 eV.

scholarly journals Geometries, Reactivity and Binding Energy of Urea on Mg9O9

2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Antonio Luiz Almeida ◽  
João Batista Lopes Martins
Keyword(s):  
Binding Energy ◽  
Gas Phase ◽  
Chemical Potential ◽  
Function Analysis ◽  
Binding Energies ◽  
Chemical Hardness ◽  
Atomic Charges ◽  
Quantum Chemical Descriptors ◽  
Site Selectivity ◽  
Global And Local

In this paper we present global and local reactivity results of the urea gas phase molecule and gas phase (MgO)18 agglomerated for understand charge distribution and binding energy (MgO)-UREA. We analyze the quantum chemical descriptors, ionization potential (I), electron affinity (A), chemical hardness (ɳ), chemical potential (μ) and Global Philicity Index (ω) and site reactivity or site selectivity condensed Fukui function analysis of the distribution of atomic charges investigated with  methods of Mulliken, Merz-Kolman and Natural Atomic Charges. For instance, the binding energies of MgO-Urea systems are.

scholarly journals Core electron binding energies of adsorbates on Cu(111) from first-principles calculations

2018 ◽  
Vol 20 (48) ◽  
pp. 30403-30411 ◽  
Author(s):  
J. Matthias Kahk ◽  
Johannes Lischner
Keyword(s):  
Binding Energy ◽  
First Principles ◽  
Binding Energies ◽  
Core Level ◽  
First Principles Calculations ◽  
Core Electron ◽  
Core Level Binding Energy ◽  
Electron Binding Energies ◽  
Electron Binding

C1s and O1s core level binding energy shifts have been calculated for various adsorbates on Cu(111) using the ΔSCF method.

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 ESCA investigations of Group IV derivatives. Part III. Binding energies for methyl substituted disilyl and digermyl chalcogenide series

1977 ◽  
Vol 55 (16) ◽  
pp. 2957-2961 ◽  
Author(s):  
John E. Drake ◽  
Chris Riddle ◽  
H. Ernest Henderson ◽  
Boris Glavinčevski
Keyword(s):  
Binding Energy ◽  
Atomic Charge ◽  
Group Iv ◽  
Binding Energies ◽  
Core Level ◽  
Related Series ◽  
Bonding Mechanisms

Core-level binding energies of all atoms are reported for the methyl substituted disilyl and digermyl chalcogenides, (MenMH3−n)2E; where M = Si, Ge; E = O, S, Se, Te; n = 0, 1, 2, 3. Binding energies are also reported for the dimethyl series Me2E; where E = O, S, Se, Te; for the hydrides H2E; where E = O, S, Se; and for the methylhydrides MeEH; where E = O, S. Binding energy trends throughout these closely related series of compounds are discussed. The similarity of atomic charge patterns, deduced from the binding energies, for all molecules of a given silicon or germanium series are consistent with their ability to redistribute charge. The bonding mechanisms that make this possible are assessed.

HIGH-RESOLUTION Si2p CORE-LEVEL STUDY OF THE K/Si(111)-(3 × 1) SURFACE

2002 ◽  
Vol 09 (02) ◽  
pp. 1235-1239 ◽  
Author(s):  
KAZUYUKI SAKAMOTO ◽  
H. M. ZHANG ◽  
ROGER I. G. UHRBERG
Keyword(s):  
High Resolution ◽  
Binding Energy ◽  
Photoelectron Spectroscopy ◽  
Binding Energies ◽  
Core Level ◽  
Three Components

The structure of the K/Si (111)-(3 × 1) surface was studied by high-resolution core-level photoelectron spectroscopy. Five surface components were observed in the Si 2p core-level spectra. Compared to the bulk component, three components are shifted to lower and two to higher binding energies. The two components with the lowest binding energies are assigned to the top-layer Si atoms bonded to the K atoms with different configurations. The component with highest binding energy has a contribution from the π-bonded Si atoms of the top layer. The two other components originate from the Si atoms of the second and third layers.

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 Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening

2019 ◽  
Vol 21 (12) ◽  
pp. 6651-6661 ◽  
Author(s):  
Michael Walter ◽  
Marlene Vogel ◽  
Vicente Zamudio-Bayer ◽  
Rebecka Lindblad ◽  
Thomas Reichenbach ◽  
...  
Keyword(s):  
Gas Phase ◽  
Geometric Structure ◽  
Ground State ◽  
Chemical Shifts ◽  
Binding Energies ◽  
Core Level ◽  
Silicon Cluster ◽  
Size Selected Clusters

2p binding energies of size-selected clusters reveal bonding motifs and help to assign new ground state geometries.

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