Abstract:As of today, the Si–Be bond remains underexplored
in the
literature, and therefore its anomalous behavior continues to be an
unsolved puzzle to date. Therefore, the present study aims at evaluating
the integrity of an unprecedented Si–Be bond within quantum
confinement. To accomplish this, first-principles-based calculation
are performed on Be-doped silicon clusters with atomic sizes 6, 7,
and 10. Silicon clusters are sequentially doped with one, two, and
three Be atoms, and their thermal response is registere… Show more
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