Rights statement: This is the peer reviewed version of the following article: C. J. Lambert, S.-X. Liu, Chem. Eur. J. 2018, 24, 4193 which has been published in final form at https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201704488 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
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Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
}
TY - JOUR
T1 - A Magic Ratio Rule for Beginners
T2 - A Chemist's Guide to Quantum Interference in Molecules
AU - Lambert, Colin J.
AU - Liu, Shi Xia
N1 - This is the peer reviewed version of the following article: C. J. Lambert, S.-X. Liu, Chem. Eur. J. 2018, 24, 4193 which has been published in final form at https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201704488 This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
PY - 2018/3/20
Y1 - 2018/3/20
N2 - This Concept article will give a glimpse into chemical design principles for exploiting quantum interference (QI) effects in molecular-scale devices. Direct observation of room temperature QI in single-molecule junctions has stimulated growing interest in fabrication of tailor-made molecular electronic devices. Herein, we outline a new conceptual advance in the scientific understanding and technological know-how necessary to control QI effects in single molecules by chemical modification. We start by discussing QI from a chemical viewpoint and then describe a new magic ratio rule (MRR), which captures a minimal description of connectivity-driven charge transport and provides a useful starting point for chemists to design appropriate molecules for molecular electronics with desired functions. The MRR predicts conductance ratios, which are solely determined by QI within the core of polycyclic aromatic hydrocarbons (PAHs). The manifestations of QI and related quantum circuit rules for materials discovery are direct consequences of the key concepts of weak coupling, locality, connectivity, mid-gap transport and phase coherence in single-molecule junctions.
AB - This Concept article will give a glimpse into chemical design principles for exploiting quantum interference (QI) effects in molecular-scale devices. Direct observation of room temperature QI in single-molecule junctions has stimulated growing interest in fabrication of tailor-made molecular electronic devices. Herein, we outline a new conceptual advance in the scientific understanding and technological know-how necessary to control QI effects in single molecules by chemical modification. We start by discussing QI from a chemical viewpoint and then describe a new magic ratio rule (MRR), which captures a minimal description of connectivity-driven charge transport and provides a useful starting point for chemists to design appropriate molecules for molecular electronics with desired functions. The MRR predicts conductance ratios, which are solely determined by QI within the core of polycyclic aromatic hydrocarbons (PAHs). The manifestations of QI and related quantum circuit rules for materials discovery are direct consequences of the key concepts of weak coupling, locality, connectivity, mid-gap transport and phase coherence in single-molecule junctions.
KW - connectivity
KW - heteroatom effect
KW - molecular electronics
KW - quantum interference
KW - single-molecule transport
U2 - 10.1002/chem.201704488
DO - 10.1002/chem.201704488
M3 - Journal article
AN - SCOPUS:85040028957
VL - 24
SP - 4193
EP - 4201
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
SN - 0947-6539
IS - 17
ER -