scholarly journals Probing the Electronic Structure of Bulk Water at the Molecular Length Scale with Angle-Resolved Photoelectron Spectroscopy

2020 ◽  
Vol 11 (13) ◽  
pp. 5162-5170 ◽  
Author(s):  
Samer Gozem ◽  
Robert Seidel ◽  
Uwe Hergenhahn ◽  
Evgeny Lugovoy ◽  
Bernd Abel ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Bulk Water ◽  
Length Scale ◽  
Molecular Length

scholarly journals Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

2020 ◽  
Author(s):  
Samer Gozem ◽  
Robert Seidel ◽  
Uwe Hergenhahn ◽  
Evgeny Lugovoy ◽  
Bernd Abel ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Anisotropy Parameter ◽  
High Energy ◽  
Bulk Water ◽  
Low Energy ◽  
Water Molecules ◽  
Neat Water ◽  
Energy Regime ◽  
The Individual

<div>We report a combined experimental and theoretical study of bulk water photoionization. Angular distributions of photoelectrons produced by ionizing the valence band of neat water using X-ray radiation (250-750 eV) show a limited (<30 %) decrease in the beta anisotropy parameter compared to the gas phase, indicating that the electronic structure of the individual water molecules can be probed. By theoretical modeling using high-level electronic structure methods, we show that in a high-energy regime photoionization of bulk can be described as an incoherent superposition of individual molecules, in contrast to a low-energy regime where photoionization probes delocalized entangled states of molecular aggregates. The two regimes-low energy versus high energy-are defined as limiting cases where the de Broglie wavelength of the photoelectron is either larger or smaller than the intermolecular distance between water molecules, respectively. The comparison of the measured and computed anisotropies reveals that at high kinetic energies the observed reduction in beta is mostly due to scattering rather than rehybridization due to solvation.</div>

scholarly journals Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

2020 ◽  
Author(s):  
Samer Gozem ◽  
Robert Seidel ◽  
Uwe Hergenhahn ◽  
Evgeny Lugovoy ◽  
Bernd Winter ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Anisotropy Parameter ◽  
High Energy ◽  
Bulk Water ◽  
Low Energy ◽  
Water Molecules ◽  
Neat Water ◽  
Energy Regime ◽  
The Individual

<div>We report a combined experimental and theoretical study of bulk water photoionization. Angular distributions of photoelectrons produced by ionizing the valence band of neat water using X-ray radiation (250-750 eV) show a limited (<30 %) decrease in the beta anisotropy parameter compared to the gas phase, indicating that the electronic structure of the individual water molecules can be probed. By theoretical modeling using high-level electronic structure methods, we show that in a high-energy regime photoionization of bulk can be described as an incoherent superposition of individual molecules, in contrast to a low-energy regime where photoionization probes delocalized entangled states of molecular aggregates. The two regimes-low energy versus high energy-are defined as limiting cases where the de Broglie wavelength of the photoelectron is either larger or smaller than the intermolecular distance between water molecules, respectively.</div>

Interaction of C60with Tungsten: Modulation of Morphology and Electronic Structure on the Molecular Length Scale

2014 ◽  
Vol 118 (42) ◽  
pp. 24479-24489 ◽  
Author(s):  
J. Brandon McClimon ◽  
Ehsan Monazami ◽  
Petra Reinke
Keyword(s):  
Electronic Structure ◽  
Length Scale ◽  
Molecular Length

scholarly journals Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy

2020 ◽  
Author(s):  
Samer Gozem ◽  
Robert Seidel ◽  
Uwe Hergenhahn ◽  
Evgeny Lugovoy ◽  
Bernd Abel ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Anisotropy Parameter ◽  
High Energy ◽  
Bulk Water ◽  
Low Energy ◽  
Water Molecules ◽  
Neat Water ◽  
Energy Regime ◽  
The Individual

<div>We report a combined experimental and theoretical study of bulk water photoionization. Angular distributions of photoelectrons produced by ionizing the valence band of neat water using X-ray radiation (250-750 eV) show a limited (<30 %) decrease in the beta anisotropy parameter compared to the gas phase, indicating that the electronic structure of the individual water molecules can be probed. By theoretical modeling using high-level electronic structure methods, we show that in a high-energy regime photoionization of bulk can be described as an incoherent superposition of individual molecules, in contrast to a low-energy regime where photoionization probes delocalized entangled states of molecular aggregates. The two regimes-low energy versus high energy-are defined as limiting cases where the de Broglie wavelength of the photoelectron is either larger or smaller than the intermolecular distance between water molecules, respectively. The comparison of the measured and computed anisotropies reveals that at high kinetic energies the observed reduction in beta is mostly due to scattering rather than rehybridization due to solvation.</div>

Electronic structure of actinide antimonides and tellurides from photoelectron spectroscopy

2004 ◽  
Vol 70 (20) ◽  
Author(s):  
T. Durakiewicz ◽  
J. J. Joyce ◽  
G. H. Lander ◽  
C. G. Olson ◽  
M. T. Butterfield ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy

A study of the FeX (X=Si, Ge) system electronic structure by X-ray photoelectron spectroscopy

2000 ◽  
Vol 447 (1-3) ◽  
pp. 112-116 ◽  
Author(s):  
I.N. Shabanova ◽  
V.I. Kormilets ◽  
L.D. Zagrebin ◽  
N.S. Terebova
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
X Ray

Electronic structure of (Ni33Zr67)85X15 (XTi, V, Cr, Mn, Fe, Co and Cu) Metallic glasses studied by photoelectron spectroscopy

1988 ◽  
Vol 99 (1-2) ◽  
pp. 317-320 ◽  
Author(s):  
R. Zehringer ◽  
P. Oelhafen ◽  
H.-J. Güntherodt ◽  
Y. Yamada ◽  
U. Mizutani
Keyword(s):  
Electronic Structure ◽  
Metallic Glasses ◽  
Photoelectron Spectroscopy

Flexible H2O2in Water: Electronic Structure from Photoelectron Spectroscopy and Ab Initio Calculations

2011 ◽  
Vol 115 (23) ◽  
pp. 6239-6249 ◽  
Author(s):  
Stephan Thürmer ◽  
Robert Seidel ◽  
Bernd Winter ◽  
Milan Ončák ◽  
Petr Slavíček
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Photoelectron Spectroscopy
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