期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 19, 期 9, 页码 6416-6421出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cp00126f
关键词
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资金
- Swiss National Science Foundation [200021-147143]
- European Commission (EC) FP7 ITN MOLESCO [606728]
- UK EPSRC [EP/K001507/1, EP/J014753/1, EP/H035818/1]
- Iraqi Ministry of Higher Education
- Tikrit University [SL-20]
- EPSRC [EP/K001507/1, EP/J014753/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/K001507/1, EP/J014753/1] Funding Source: researchfish
Using a first principles approach combined with analysis of heuristic tight-binding models, we examine the connectivity dependence of two forms of quantum interference in single molecules. Based on general arguments, Fano resonances are shown to be insensitive to connectivity, while Mach-Zehndertype interference features are shown to be connectivity dependent. This behaviour is found to occur in molecular wires containing anthraquinone units, in which the pendant carbonyl groups create Fano resonances, which coexist with multiple-path quantum interference features.
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