Clar Covers and Zhang-Zhang Polynomials of Zigzag and Armchair Carbon Nanotubes

被引：0

作者：

Wu, Meng-Han ^{[1
]}

Witek, Henryk A. ^{[2
,3
]}

Podeszwa, Rafal ^{[4
]}

机构：

[1] Int Bilingual Sch Hsinchu Sci Pk IBSH, 300 Jieshou Rd, Hsinchu 30078, Taiwan

[2] Natl Yang Ming Chiao Tung Univ, Dept Appl Chem, Hsinchu 300093, Taiwan

[3] Natl Yang Ming Chiao Tung Univ, Inst Mol Sci, Hsinchu 300093, Taiwan

[4] Univ Siles Katowice, Inst Chem, Szkolna 9, Katowice, Poland

来源：

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY | 2025年 / 93卷 / 02期

关键词：

FINITE-LENGTH MODELS; CLOSED-FORM FORMULAS; ELECTRONIC-PROPERTIES; GRAPHENE NANORIBBONS; HEXAGONAL SYSTEMS; BENZENOID SYSTEMS; KEKULE COUNT; AROMATICITY PATTERNS; RESONANCE STRUCTURES; INTERFACE THEORY;

D O I：

10.46793/match.93-2.415W

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We derive here compact formulas for the Zhang-Zhang (ZZ) polynomials of two classes of finite open-ended carbon nanotubes: zigzag nanotubes (n, 0) of length d and armchair nanotubes (n, n) of length d. For zigzag nanotubes, the underlying Clar cover theory is trivial; in contrast, for armchair nanotubes, the Clar theory is complex and abundant in results. The ZZ polynomial formulas have been obtained using the interface theory of benzenoids and the transfer matrix methodology.

引用

页数：310

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