Home > Research > Publications & Outputs > Does Kirchhoff’s Law Work in Molecular-Scale St...

Research

Links

Text available via DOI:

View graph of relations

Does Kirchhoff’s Law Work in Molecular-Scale Structures?

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

Published

Standard

Does Kirchhoff’s Law Work in Molecular-Scale Structures? / Alshehab, Abdullah; Ismael, Ali K.
In: ACS Omega, Vol. 10, No. 9, 11.03.2025, p. 9314-9320.

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

Harvard

Alshehab, A & Ismael, AK 2025, 'Does Kirchhoff’s Law Work in Molecular-Scale Structures?', ACS Omega, vol. 10, no. 9, pp. 9314-9320. https://doi.org/10.1021/acsomega.4c09854

APA

Alshehab, A., & Ismael, A. K. (2025). Does Kirchhoff’s Law Work in Molecular-Scale Structures? ACS Omega, 10(9), 9314-9320. https://doi.org/10.1021/acsomega.4c09854

Vancouver

Alshehab A, Ismael AK. Does Kirchhoff’s Law Work in Molecular-Scale Structures? ACS Omega. 2025 Mar 11;10(9):9314-9320. Epub 2025 Feb 27. doi: 10.1021/acsomega.4c09854

Author

Alshehab, Abdullah ; Ismael, Ali K. / Does Kirchhoff’s Law Work in Molecular-Scale Structures?. In: ACS Omega. 2025 ; Vol. 10, No. 9. pp. 9314-9320.

Bibtex

@article{09260027ce034ad6849ba467a65066b8,
title = "Does Kirchhoff{\textquoteright}s Law Work in Molecular-Scale Structures?",
abstract = "This study aims to theoretically and comprehensively investigate the single-molecule electrical conductance of symmetric and asymmetric alkane cyclic (SAC and AAC) molecules and their corresponding linear chains with three different terminal end groups including thiol (−SH), direct carbon (−C), and amine (−NH2). Here, we examine the validity of Kirchhoff{\textquoteright}s law concerning sigma nonconjugated molecules at the nanoscale level. Counterintuitively, the electrical conductance (G) of symmetric and asymmetric alkane cyclic molecules with two parallel conductance paths is lower than that of their corresponding single chains with only one conductance path. This completely contradicts classical rules for combining conductances in parallel, regardless of the anchor group type, in light of this study{\textquoteright}s use of symmetric and asymmetric cyclic molecules. A comparison of the DFT prediction trends with scanning tunneling microscopy measurements indicates that they are well-supported. The results of this investigation demonstrate an excellent correlation between our simulations and experimental measurements, for both SAC and AAC structures of different cavity size n,m = 3,3; 4,4; 5,5···10,10 and n,m = 3,5; 4,6; 5,7; 6,8; 7,9; 8,10; and 9,11 and for three different terminal end groups.",
author = "Abdullah Alshehab and Ismael, {Ali K.}",
year = "2025",
month = mar,
day = "11",
doi = "10.1021/acsomega.4c09854",
language = "English",
volume = "10",
pages = "9314--9320",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "American Chemical Society",
number = "9",

}

RIS

TY - JOUR

T1 - Does Kirchhoff’s Law Work in Molecular-Scale Structures?

AU - Alshehab, Abdullah

AU - Ismael, Ali K.

PY - 2025/3/11

Y1 - 2025/3/11

N2 - This study aims to theoretically and comprehensively investigate the single-molecule electrical conductance of symmetric and asymmetric alkane cyclic (SAC and AAC) molecules and their corresponding linear chains with three different terminal end groups including thiol (−SH), direct carbon (−C), and amine (−NH2). Here, we examine the validity of Kirchhoff’s law concerning sigma nonconjugated molecules at the nanoscale level. Counterintuitively, the electrical conductance (G) of symmetric and asymmetric alkane cyclic molecules with two parallel conductance paths is lower than that of their corresponding single chains with only one conductance path. This completely contradicts classical rules for combining conductances in parallel, regardless of the anchor group type, in light of this study’s use of symmetric and asymmetric cyclic molecules. A comparison of the DFT prediction trends with scanning tunneling microscopy measurements indicates that they are well-supported. The results of this investigation demonstrate an excellent correlation between our simulations and experimental measurements, for both SAC and AAC structures of different cavity size n,m = 3,3; 4,4; 5,5···10,10 and n,m = 3,5; 4,6; 5,7; 6,8; 7,9; 8,10; and 9,11 and for three different terminal end groups.

AB - This study aims to theoretically and comprehensively investigate the single-molecule electrical conductance of symmetric and asymmetric alkane cyclic (SAC and AAC) molecules and their corresponding linear chains with three different terminal end groups including thiol (−SH), direct carbon (−C), and amine (−NH2). Here, we examine the validity of Kirchhoff’s law concerning sigma nonconjugated molecules at the nanoscale level. Counterintuitively, the electrical conductance (G) of symmetric and asymmetric alkane cyclic molecules with two parallel conductance paths is lower than that of their corresponding single chains with only one conductance path. This completely contradicts classical rules for combining conductances in parallel, regardless of the anchor group type, in light of this study’s use of symmetric and asymmetric cyclic molecules. A comparison of the DFT prediction trends with scanning tunneling microscopy measurements indicates that they are well-supported. The results of this investigation demonstrate an excellent correlation between our simulations and experimental measurements, for both SAC and AAC structures of different cavity size n,m = 3,3; 4,4; 5,5···10,10 and n,m = 3,5; 4,6; 5,7; 6,8; 7,9; 8,10; and 9,11 and for three different terminal end groups.

U2 - 10.1021/acsomega.4c09854

DO - 10.1021/acsomega.4c09854

M3 - Journal article

C2 - 40092794

VL - 10

SP - 9314

EP - 9320

JO - ACS Omega

JF - ACS Omega

SN - 2470-1343

IS - 9

ER -