We present the quasi-free electron energy () in the weakly polar fluids CO and HD from gas to liquid densities , on noncritical isotherms, and at a temperature near the critical isotherm. These results represent the first systematic investigation of () in polar fluids across a broad density range and illustrate that field enhanced photoemission can be used to obtain data in such systems. We show that the local Wigner-Seitz model for (), when coupled with thermodynamic data for the fluids, can yield optimized intermolecular potential parameters, as well as the magnitude of the zero kinetic energy electron scattering length.
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http://dx.doi.org/10.1063/1.5044521 | DOI Listing |
Chemphyschem
December 2024
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, 400076, India.
The cellular environment plays a significant role in low energy electron-mediated radiation damage to genetic materials. In this study, we have modeled the effect of the bulk medium on electron attachment to nucleobases in diethylene glycol (DEG) using uracil as a test case, in accordance with recent experimental work on the observation of dissociative quasi-free electron attachment to nucleoside via excited anion radical in solution (in DEG). Our EOM-CCSD-based quantum mechanical/molecular mechanical (QM/MM) simulations indicate that the electron scavenging by uracil in DEG is much slower than that observed in the aqueous medium due to its viscosity.
View Article and Find Full Text PDFThe combination of isochoric heating of solids by free-electron lasers (FELs) and in situ diagnostics by X-ray Thomson scattering (XRTS) allows for measurements of material properties at warm dense matter (WDM) conditions relevant for astrophysics, inertial confinement fusion, and materials science. In the case of metals, the FEL beam pumps energy directly into electrons with the lattice structure of ions being nearly unaffected. This leads to a unique transient state that gives rise to a set of interesting physical effects, which can serve as a reliable testing platform for WDM theories.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2024
Institut de Chimie Physique, Université Paris-Saclay, CNRS, Bâtiment 349, Orsay, 91405, France.
Picosecond pulse radiolysis measurements were employed to assess the effectiveness of N in scavenging quasi-free electrons in aqueous solutions. The absorption spectra of hydrated electrons were recorded within a 100 ps timeframe across four distinct solutions with N concentrations of 0.5, 1, 2, and 5 M in water.
View Article and Find Full Text PDFNanoscale
February 2024
Department of Materials, ETH Zurich, 8093 Zurich, Switzerland.
Li intercalation is commonly used to enhance the carrier density in epitaxial graphene and mitigate coupling to the substrate. So far, the understanding of the intercalation process, particularly how Li penetrates different layers above the substrate, and its impact on electron transport remains incomplete. Here, we report different phases of Li intercalation and their kinetic processes in epitaxial mono- and bilayer graphene grown on SiC.
View Article and Find Full Text PDFPhys Rev Lett
November 2023
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
The evolution of single-particle strengths as the neutron-to-proton asymmetry changes informs us of the importance of short- and long-range correlations in nuclei and has therefore been extensively studied for the last two decades. Surprisingly, the strong asymmetry dependence of these strengths and their extreme values for highly asymmetric nuclei inferred from knockout reaction measurements on a target nucleus are not consistent with what is extracted from electron-induced, transfer, and quasi-free reaction data, constituting a two-decade old puzzle. This work presents the first consistent analysis of one-nucleon transfer and one-nucleon knockout data, in which theoretical uncertainties associated with the nucleon-nucleus effective interactions considered in the reaction models are quantified using a Bayesian analysis.
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