منابع مشابه
Electronic transport in fullerene C20 bridge assisted by molecular vibrations.
The effect of molecular vibrations on electronic transport is investigated with the smallest fullerene C20 bridge, utilizing the Keldysh nonequilibrium Green's function techniques combined with the tight-binding molecular-dynamics method. Large discontinuous steps appear in the differential conductance when the applied bias voltage matches particular vibrational energies. The magnitude of the s...
متن کاملStability of Fullerene-based Systems
ehemical modification of fullerenes such as the C60 molecule is a promising way to generate novel materials with tailored properties. Exohedral insertion of atoms in the interstitial sites of the Coo solid has created a new class of superconductors. Encapsulation of atoms in the fullerene cage is expected to lead to stable M@C(,() endohedral complexes with a very interesting optical response. W...
متن کاملDFT Study on the Interaction of the Smallest Fullerene C20 with Lithium Ions and Atoms
The smallest fullerene C20 with positive electron affinity is considered to be a new organic nano-electronic material. The binding structures and electronic states of lithium ions and atoms (Li+ and Li) trapped on the surface of C20 have been investigated by means of density functional theory (DFT) calculation to elucidate the nature of their interaction. It was found that a Li+ can bind to onl...
متن کاملThe Nitrogen atom effect on structural and magnetic properties of Fullerene C20:A DFT study
The fullerene structures of C20cage and bowl,C20H10 and their N-doped structures as C20cage NH,C20bowl NH, C20H10NH, C20H10N and their isomers are optimized using the MPW1PW91/6-31G level of the theory. Magnetic shielding tensors of 14N and 13C atoms are calculated by the same level of the theory. Results show that doping an N atom on fullerenes affects differently on the chemical shielding of ...
متن کاملThe Nitrogen atom effect on structural and magnetic properties of Fullerene C20:A DFT study
The fullerene structures of C20cage and bowl,C20H10 and their N-doped structures as C20cage NH,C20bowl NH, C20H10NH, C20H10N and their isomers are optimized using the MPW1PW91/6-31G level of the theory. Magnetic shielding tensors of 14N and 13C atoms are calculated by the same level of the theory. Results show that doping an N atom on fullerenes affects differently on the chemical shielding of ...
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ژورنال
عنوان ژورنال: JETP Letters
سال: 2007
ISSN: 0021-3640,1090-6487
DOI: 10.1134/s0021364007070089