Chemical Physics Letters, Vol.583, 114-118, 2013
Breathing-trap mechanism for encapsulation of atomic hydrogen in C-60
Our density-functional-based simulations demonstrate that atomic hydrogen can be encapsulated in C-60 via collisions of either H or H-2 with a C-60 molecule whose breathing mode has been properly excited by an optimized femtosecond-scale laser pulse. The basic mechanism is a 'breathing trap', with the C-60 first expanding, to admit the H, and then contracting, to contain it. (C) 2013 Elsevier B. V. All rights reserved.