有限碳链在电场中的分解

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 1997-01-10 DOI:10.1016/S0009-2614(96)01328-0

Seong Gon Kim , Young Hee Lee , Peter Nordlander , David Tománek

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Disintegration of finite carbon chains in electric fields

We use the density functional formalism to investigate the stability and disintegration of finite carbon chains in electric fields. Carbon chains are very stable, since they require energies in excess of 5 eV to fragment. Only in strong electric fields exceeding 4 V/Å, we find neutral chains to disintegrate, preferably by field emitting a monomer from the negatively polarized end. This critical field for fragmentation is found to decrease in chains that carry a net negative charge. We discuss the impact of these results on the evalution of atomic structures at the tip of carbon nanotubes grown in the carbon arc.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.