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Magic ratios for connectivity-driven electrical conductance of graphene-like molecules

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Magic ratios for connectivity-driven electrical conductance of graphene-like molecules. / Geng, Yan; Sangtarash, Sara; Huang, Cancan et al.
In: Journal of the American Chemical Society, Vol. 137, No. 13, 17.03.2015, p. 4469-4476.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Geng, Y, Sangtarash, S, Huang, C, Sadeghi, H, Fu, Y, Hong, W, Wandlowski, T, Decurtins, S, Lambert, CJ & Liu, S 2015, 'Magic ratios for connectivity-driven electrical conductance of graphene-like molecules', Journal of the American Chemical Society, vol. 137, no. 13, pp. 4469-4476. https://doi.org/10.1021/jacs.5b00335

APA

Geng, Y., Sangtarash, S., Huang, C., Sadeghi, H., Fu, Y., Hong, W., Wandlowski, T., Decurtins, S., Lambert, C. J., & Liu, S. (2015). Magic ratios for connectivity-driven electrical conductance of graphene-like molecules. Journal of the American Chemical Society, 137(13), 4469-4476. https://doi.org/10.1021/jacs.5b00335

Vancouver

Geng Y, Sangtarash S, Huang C, Sadeghi H, Fu Y, Hong W et al. Magic ratios for connectivity-driven electrical conductance of graphene-like molecules. Journal of the American Chemical Society. 2015 Mar 17;137(13):4469-4476. doi: 10.1021/jacs.5b00335

Author

Geng, Yan ; Sangtarash, Sara ; Huang, Cancan et al. / Magic ratios for connectivity-driven electrical conductance of graphene-like molecules. In: Journal of the American Chemical Society. 2015 ; Vol. 137, No. 13. pp. 4469-4476.

Bibtex

@article{c19d4478d7a9432282a85eb90264e6d0,
title = "Magic ratios for connectivity-driven electrical conductance of graphene-like molecules",
abstract = "Experiments using a mechanically controlled break junction and calculations based on density functional theory demonstrate a new magic ratio rule (MRR) that captures the contribution of connectivity to the electrical conductance of graphene-like aromatic molecules. When one electrode is connected to a site i and the other is connected to a site i′ of a particular molecule, we assign the molecule a “magic integer” Mii′. Two molecules with the same aromatic core but different pairs of electrode connection sites (i,i′ and j,j′, respectively) possess different magic integers Mii′ and Mjj′. On the basis of connectivity alone, we predict that when the coupling to electrodes is weak and the Fermi energy of the electrodes lies close to the center of the HOMO–LUMO gap, the ratio of their conductances is equal to (Mii′/Mjj′)^2. The MRR is exact for a tight-binding representation of a molecule and a qualitative guide for real molecules.",
author = "Yan Geng and Sara Sangtarash and Cancan Huang and Hatef Sadeghi and Yongchun Fu and Wenjing Hong and Thomas Wandlowski and Silvio Decurtins and Lambert, {Colin J.} and Shi-xia Liu",
note = "Date of Acceptance: 17/03/2015",
year = "2015",
month = mar,
day = "17",
doi = "10.1021/jacs.5b00335",
language = "English",
volume = "137",
pages = "4469--4476",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "AMER CHEMICAL SOC",
number = "13",

}

RIS

TY - JOUR

T1 - Magic ratios for connectivity-driven electrical conductance of graphene-like molecules

AU - Geng, Yan

AU - Sangtarash, Sara

AU - Huang, Cancan

AU - Sadeghi, Hatef

AU - Fu, Yongchun

AU - Hong, Wenjing

AU - Wandlowski, Thomas

AU - Decurtins, Silvio

AU - Lambert, Colin J.

AU - Liu, Shi-xia

N1 - Date of Acceptance: 17/03/2015

PY - 2015/3/17

Y1 - 2015/3/17

N2 - Experiments using a mechanically controlled break junction and calculations based on density functional theory demonstrate a new magic ratio rule (MRR) that captures the contribution of connectivity to the electrical conductance of graphene-like aromatic molecules. When one electrode is connected to a site i and the other is connected to a site i′ of a particular molecule, we assign the molecule a “magic integer” Mii′. Two molecules with the same aromatic core but different pairs of electrode connection sites (i,i′ and j,j′, respectively) possess different magic integers Mii′ and Mjj′. On the basis of connectivity alone, we predict that when the coupling to electrodes is weak and the Fermi energy of the electrodes lies close to the center of the HOMO–LUMO gap, the ratio of their conductances is equal to (Mii′/Mjj′)^2. The MRR is exact for a tight-binding representation of a molecule and a qualitative guide for real molecules.

AB - Experiments using a mechanically controlled break junction and calculations based on density functional theory demonstrate a new magic ratio rule (MRR) that captures the contribution of connectivity to the electrical conductance of graphene-like aromatic molecules. When one electrode is connected to a site i and the other is connected to a site i′ of a particular molecule, we assign the molecule a “magic integer” Mii′. Two molecules with the same aromatic core but different pairs of electrode connection sites (i,i′ and j,j′, respectively) possess different magic integers Mii′ and Mjj′. On the basis of connectivity alone, we predict that when the coupling to electrodes is weak and the Fermi energy of the electrodes lies close to the center of the HOMO–LUMO gap, the ratio of their conductances is equal to (Mii′/Mjj′)^2. The MRR is exact for a tight-binding representation of a molecule and a qualitative guide for real molecules.

U2 - 10.1021/jacs.5b00335

DO - 10.1021/jacs.5b00335

M3 - Journal article

VL - 137

SP - 4469

EP - 4476

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 13

ER -