181 citations · 807 across the 25 of their papers we have counts for
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Deciphering mechanisms of enhanced-retarded oxygen diffusion in doped Si
Dilyara Timerkaeva, Damien Caliste, Pascal Pochet
In this letter, we study enhanced-retarded diffusion of oxygen in doped silicon by means of first principle calculations. We found that the migration of oxygen dimers can not be si…
Boron aggregation in the ground states of boron-carbon fullerenes
Stephan Mohr, Pascal Pochet, Maximilian Amsler +4
We present novel structural motifs for boron-carbon nano-cages of the stochiometries B12C48 and B12C50, based on first principle calculations. These configurations are distinct fro…
Selecting Boron Fullerenes by Cage-Doping Mechanisms
Paul Boulanger, Maxime Moriniere, Luigi Genovese +1
So far, no boron fullerenes were synthesized: more compact sp3-bonded clusters are energetically preferred. To circumvent this, metallic clusters have been suggested by Pochet et a…