The possibility of using fullerenes as containers for toxic beryllium atoms is studied by a
multi‐scale approach in which first‐principles and classical molecular dynamics simulations …

We study theoretically the bound states of one and two boron atoms in the exohedral and
endohedral C 60 fullerene. The optimal position of one boron atom is found above the …

The decay rate of Be 7 electron capture in C 70 and Be metal was measured employing a
reference method. The half-life (T 1/2) of Be 7 endohedral C 70 (Be 7@ C 70) was found to …

Electron capture (EC) decay of a Be 7 atom, the rate of which is affected by the electron
density at the Be 7 nucleus, forms a Li 7 atom and emits a neutrino. Herein, we studied the …

To discuss the half-life of the electron-capture decay of Be 7 in cluster and crystal forms of
beryllium, we performed density functional calculations of the electron density ρ (0) at the Be …

Electron capture (β-decay) rates of Be 7 and Be 2 7 encapsulated in C 70 have been
estimated by calculating the electron density ρ (0) at the Be 7 nucleus and comparing it with …

We have studied the potential barriers for the penetration of atomic beryllium or boron inside
the C60 fullerene by performing density functional theory (DFT) calculations with three …

In radionuclide compounds undergoing electron capture (EC) decay, the electron density at
the nucleus (ρ (0)) and half-life of the nucleus are inversely proportional. Thus, the decay …

Ab initio quantum mechanical methods based on the Hartree-Fock approach are used to
study the probability of electron capture by the 7 Be nucleus in the 7 BeO crystal and the β …

Equilibrium positions of the 7 Be atom both inside and outside the C 36 fullerene are found
and the electron density at the 7 Be nucleus, ρ (0), for these positions are calculated using a …