4.8 Article

Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits

期刊

NANOSCALE
卷 15, 期 25, 页码 10573-10583

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/d3nr01034a

关键词

-

向作者/读者索取更多资源

The quantum circuit rule (QCR) estimates the conductance of molecular junctions by considering them as a series of independent scattering regions associated with anchor groups and bridge. Single-molecule conductance measurements with substituted oligoynes demonstrate an exponential dependence of molecular conductance on the number of alkyne repeating units, allowing estimation of anchor and backbone parameters. The QCR accurately estimates the junction conductance of more complex molecular circuits formed from smaller components assembled in series, by utilizing these parameters in addition to previously determined ones.
The quantum circuit rule (QCR) allows estimation of the conductance of molecular junctions, electrode vertical bar X-bridge-Y vertical bar electrode, by considering the molecule as a series of independent scattering regions associated with the anchor groups (X, Y) and bridge, provided the numerical parameters that characterise the anchor groups (a(X), a(Y)) and molecular backbones (b(B)) are known. Single-molecule conductance measurements made with a series of alpha,omega-substituted oligoynes (X-{(C C)(N)}-X, N = 1, 2, 3, 4), functionalised by terminal groups, X (4-thioanisole (C6H4SMe), 5-(3,3-dimethyl-2,3-dihydrobenzo[b]thiophene) (DMBT), 4-aniline (C6H4NH2), 4-pyridine (Py), capable of serving as 'anchor groups' to contact the oligoyne fragment within a molecular junction, have shown the expected exponential dependence of molecular conductance, G, with the number of alkyne repeating units. In turn, this allows estimation of the anchor (a(i)) and backbone (b(i)) parameters. Using these values, together with previously determined parameters for other molecular fragments, the QCR is found to accurately estimate the junction conductance of more complex molecular circuits formed from smaller components assembled in series.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.8
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据