A combined experimental/theoretical investigation of the He + ICl interactions: Determination of the binding energies of the T-shaped and linear He⋯I35Cl(X,v″ = 0) conformers

2004 ◽  
Vol 6 (23) ◽  
pp. 5275-5282 ◽  
Author(s):  
David S. Boucher ◽  
Joshua P. Darr ◽  
Matthew D. Bradke ◽  
Richard A. Loomis ◽  
Anne B. McCoy
Keyword(s):  
Theoretical Investigation ◽  
Binding Energies

The determination of binding energies and preexponential factors: a time resolved HREELS study on Fe(111)/CO2

2004 ◽  
Vol 572 (2-3) ◽  
pp. 355-365 ◽  
Author(s):  
G. Heß ◽  
Ch. Baumgartner ◽  
A. Petkova ◽  
H. Froitzheim
Keyword(s):  
Binding Energies ◽  
Time Resolved

Determination of the oxidation state of manganese in lepidolite by X-ray photoelectron spectroscopy

Clay Minerals ◽  
1982 ◽  
Vol 17 (4) ◽  
pp. 477-481 ◽  
Author(s):  
S. Evans ◽  
E. Raftery
Keyword(s):  
Oxidation State ◽  
Photoelectron Spectroscopy ◽  
Electronic Spectroscopy ◽  
Binding Energies ◽  
Core Electron ◽  
X Ray ◽  
Occasional Occurrence ◽  
The Subject ◽  
Electron Binding Energies

It is usually assumed that the oxidation state of the small proportion of Mn sometimes present in micas is +2, although there is evidence from electronic spectroscopy (Burns, 1970) for at least the occasional occurrence of Mn(III) in manganophyllite. We describe here X-ray photoelectron spectroscopic (XPS) measurements on the Mn in a Norwegian lepidolite which was the subject of a concurrent structural study by X-ray photoelectron diffraction (Evans & Raftery, 1982). To establish the Mn oxidation state we have compared the Mn2p core-electron binding energies (BE), the Mn2P3/2-O ls BE differences, and the Mn2p XPS peak profiles from the four common oxides of manganese (MnO, Mn3O4, Mn2O3 and MnO2) with those from the lepidolite. A re-examination of these oxides was undertaken because the agreement between reports in the literature was unsatisfactory, and uncertainty existed concerning the integrity of some of the surfaces previously examined.

Vibrational Properties of the Isotopomers of the Water Dimer Derived from Experiment and Computations

2014 ◽  
Vol 67 (3) ◽  
pp. 426 ◽  
Author(s):  
Robert Kalescky ◽  
Wenli Zou ◽  
Elfi Kraka ◽  
Dieter Cremer
Keyword(s):  
Binding Energy ◽  
Zero Point ◽  
Binding Energies ◽  
Water Dimer ◽  
General Observation ◽  
Reduced Pressure ◽  
Point Energy ◽  
Deuterium Substitution ◽  
Mass Increase

The water dimer and its 11 deuterated isotopomers are investigated utilizing coupled cluster theory and experimental data as input for a perturbational determination of the isotopomer frequencies. Deuterium substitution reduces the H-bond stretching frequency by maximally 12 cm–1 from 143 to 131 cm–1, which makes a spectroscopic differentiation of H- and D-bonds difficult. However, utilizing the 132 frequencies obtained in this work, the identification of all isotopomers is straightforward. The CCSD(T)/CBS value of the binding energy De is 5.00 kcal mol–1. The binding energy D0 of the water dimer increases upon deuterium substitution from 3.28 to maximally 3.71 kcal mol–1 reflecting a decrease in the zero point energy contribution. The entropy values of the D-isotopomers increase from 73 to 77 entropy units in line with the general observation that a mass increase leads to larger entropies. All 12 isotopomers possess positive free binding energies at 80 K and a reduced pressure of 110 Pa, which means that they can be spectroscopically observed under these conditions.

Photoluminescence of 10H-SiC

2016 ◽  
Vol 858 ◽  
pp. 269-273
Author(s):  
Anne Henry ◽  
Hiroshi Yano ◽  
Tomoaki Hatayama
Keyword(s):  
Electron Microscope ◽  
Band Gap ◽  
Transmission Electron Microscope ◽  
Lower Energy ◽  
Free Exciton ◽  
Binding Energies ◽  
Photoluminescence Spectra ◽  
Transmission Electron ◽  
First Time

The photoluminescence of the near band gap emission of 10H-SiC is revealed for the first time and detected just below 3.0 eV. The crystallinity thus polytype of the sample is controlled with transmission electron microscope analyses and Laue diffraction. On the photoluminescence spectra up to eight sharp lines are associated to the non-phonon lines of the nitrogen bound exciton even if ten are expected in 10H-SiC. Phonon replicas of these non-phonon lines are observed at lower energy with energy separations similar than those in other hexagonal SiC polytypes. At moderate temperature free-exciton replicas are also observed which allow the determination of the excitonic band gap at 3020.6 meV, value in agreement with the hexagonality of 10H-SiC of 40%. The binding energies associated to the nitrogen bound-excitons are determined as well as the ionization energies of the nitrogen donors in the 10H-SiC polytype.

scholarly journals Determination of layer-dependent exciton binding energies in few-layer black phosphorus

2018 ◽  
Vol 4 (3) ◽  
pp. eaap9977 ◽  
Author(s):  
Guowei Zhang ◽  
Andrey Chaves ◽  
Shenyang Huang ◽  
Fanjie Wang ◽  
Qiaoxia Xing ◽  
...  
Keyword(s):  
Black Phosphorus ◽  
Binding Energies
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