A new trap mechanism has been proposed to generate H@C 60 . Buckyball excited by shaped laser pulse could have large Raman-active vibration mode A g (1), which enlarges and shrinks buckyball alternately, and raises and decreases the energy barrier repeatedly, forming a trap to capture the incoming H atom. In this trap mechanism, the A g (1) vibration mode is excited before the encapsulation process of H atom. Simulations of semiclassical electron-radiation-ion dynamics showed that the kinetic energy threshold for H atom in this mechanism was lowered from 17.51 eV to 10.51 eV, and successful encapsulation happened in the range from 10.51 eV to 15.55 eV.
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