First-principles study of electronic transport properties of C20F20 molecule | Zendy

Yi-Peng An | Zendy; ChuanLu Yang | Zendy; Wang Mei-Shan | Zendy; XiaoGuang Ma | Zendy; Dehua Wang | Zendy

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First-principles study of electronic transport properties of C20F20 molecule

Author(s) -

Yi-Peng An,

ChuanLu Yang,

Wang Mei-Shan,

XiaoGuang Ma,

Dehua Wang

Publication year - 2010

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.59.2010

Subject(s) - conductance , molecule , density functional theory , materials science , biasing , function (biology) , condensed matter physics , voltage , physics , quantum mechanics , evolutionary biology , biology

Using first-principles density functional theory and non-equilibrium Green’s function method, we investigated the electronic transport properties of C20F20 molecule. The calculation shows that the zero bias equilibrium conductance of C20F20 molecule is 0.385 G0. The I-V curve presents good linear characteristic. Under finite bias voltage the molecule displays stable conductance characteristic, and could be made as one steadying resistance molecular device.

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