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View article: Ultrafast Nonadiabatic Electron Relaxation Dynamics in Photoexcited C<sub>60</sub> Molecules
Ultrafast Nonadiabatic Electron Relaxation Dynamics in Photoexcited C<sub>60</sub> Molecules Open
Fullerene molecules, being attractive for fundamental research and key building blocks in materials of energy harvesting, are important for ultrafast electron transfer studies. The nonradiative electron-relaxation dynamics in a C60 molecul…
View article: Heavy-hole spin relaxation in quantum dots: Isotropic versus anisotropic effects
Heavy-hole spin relaxation in quantum dots: Isotropic versus anisotropic effects Open
Non-charge based logic in single-hole spin of semiconductor quantum dots\n(QDs) can be controlled by anisotropic gate potentials providing a notion for\nmaking next generation solid-state quantum devices. In this study, we\ninvestigate the…
View article: Ultrafast nonadiabatic electron dynamics in photoexcited C60: A comparative study among DFT exchange-correlation functionals
Ultrafast nonadiabatic electron dynamics in photoexcited C60: A comparative study among DFT exchange-correlation functionals Open
The non-radiative electron-relaxation dynamics in C$_{60}$ molecule is studied after selective initial photoexcitations. The methodology includes nonadibabtic molecular simulation combined with time-dependent density functional theory (DFT…
View article: Photoionization of neutral magnesium and sodium anion in C<sub>60</sub> versus C<sub>240</sub>
Photoionization of neutral magnesium and sodium anion in C<sub>60</sub> versus C<sub>240</sub> Open
Synopsis We investigate the effects of confinement and electron correlation on the photoemission properties of Mg and Na − endohedrally sequestered in C 60 versus C 240 . Cross sections and Wigner-Smith time delays for emissions from vario…
View article: Photoionization of open-shell halogen atoms endohedrally confined in C<sub>60</sub>
Photoionization of open-shell halogen atoms endohedrally confined in C<sub>60</sub> Open
Dipole photoionization of atomically open-shell halogen-endofullerenes Cl,Br,I@C60 are calculated using time-dependent local density functional theory and a spherical potential model. Hybridization of the valence np orbital of the atom wit…