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Interplay of coulomb and exciton-phonon coupling controls singlet fission dynamics in two pentacene polymorphs.
J Chem Phys
September 2024
Chemistry and Nanoscience Center, National Renewable Energy Laboratory, Golden, Colorado 80401, USA.
Pentacene is an important model organic semiconductor in both the singlet exciton fission (SF) and organic electronics communities. We have investigated the effect of changing crystal structure on the SF process, generating multiple triplet excitons from an initial singlet exciton, and subsequent triplet recombination. Unlike for similar organic semiconductors that have strong SF sensitive to polymorphism, we find almost no quantitative difference between the kinetics of triplet pair (TT) formation in the two dominant polymorphs of pentacene.
View Article and Find Full Text PDFExploring the ultrafast and isomer-dependent photodissociation of iodothiophenes site-selective ionization.
Phys Chem Chem Phys
April 2024
Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.
C-I bond extension and fission following ultraviolet (UV, 262 nm) photoexcitation of 2- and 3-iodothiophene is studied using ultrafast time-resolved extreme ultraviolet (XUV) ionization in conjunction with velocity map ion imaging. The photoexcited molecules and eventual I atom products are probed by site-selective ionization at the I 4d edge using intense XUV pulses, which induce multiple charges initially localized to the iodine atom. At C-I separations below the critical distance for charge transfer (CT), charge can redistribute around the molecule leading to Coulomb explosion and charged fragments with high kinetic energy.
View Article and Find Full Text PDFHeavy particle radioactivity of superheavy nuclei.
Radiat Prot Dosimetry
December 2023
Department of Physics, Government College for women, Kolar 563101, Karnataka, India.
We investigated different decay modes such as heavy particle radioactivity (HPR), spontaneous fission (SF), alpha decay and beta-decay in superheavy (SH) region 104 ≤ Z ≤ 126. In HPR, different emissions from Zmin = 28 to maximum heavy particle (HP) emission up to Zmax = Z - 82 were considered. In the evaluation of Q-values, mass excess Weizsäcker-Skyrme 4+radial basis function (WS4+RBF) values were taken into account.
View Article and Find Full Text PDFOklo natural fission reactors and dynamical models of dark energy.
Radiat Prot Dosimetry
November 2023
Department of Physical and Earth Sciences, Sol Plaatje University, Kimberley NC 8301, South Africa.
Bounds on the cosmological variation of the fine structure constant α inferred from Oklo neutron capture data are sometimes taken cum grano salis. It is possible to quantify uncertainties related to the treatment of excitation, deformation and the Coulomb interaction. On the basis of this analysis, it is concluded that Oklo data imply the relative change in α over the last 1.
View Article and Find Full Text PDFRecent Developments in the Methods and Applications of Electrostatic Theory.
Acc Chem Res
September 2023
School of Chemistry, University of Nottingham, University Park NG2 7RD, U.K.
ConspectusThe review improves our understanding of how electrostatic interactions in the electrolyte, gas phase, and on surfaces can drive the fragmentation and assembly of particles. This is achieved through the overview of our advanced theoretical and computational modeling toolbox suitable for interpretation of experimental observations and discovery of novel, tunable assemblies and architectures. In the past decade, we have produced a significant, fundamental body of work on the development of comprehensive theories based on a rigorous mathematical foundation.
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