A Nanoscale Jigsaw-Puzzle Approach to Large π-Conjugated Systems

被引：21

作者：

Gao, Xingfa ^{[1
]}

Zhang, Shengbai B. ^{[1
]}

Zhao, Yuliang ^{[2
,3
]}

Nagase, Shigeru ^{[4
]}

机构：

[1] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA

[2] Chinese Acad Sci, Inst High Energy Phys, CAS Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China

[3] Natl Ctr Nanosci & Technol, Beijing 100191, Peoples R China

[4] Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 38期

关键词：

conjugated systems; density functional calculations doping; Clar model; CHEMICAL-VAPOR-DEPOSITION; CARBON NANOTUBES; DOPED GRAPHENE; NITROGEN; FULLERENES; NANOGRAPHENES; AROMATICITY; REDUCTION; CURVATURE; DIAMETER;

D O I：

10.1002/anie.201002617

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Equotion Present) Piecing the puzzle together: A simple model of stability for hybrid carbon-conjugated materials is revealed and computationally verified. Based on this model, a simple "jigsaw-puzzle" strategy towards the design for a family of highly viable hybrid carbon-conjugated materials is proposed (see picture; C green, N blue, H white). © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：6764 / 6767

页数：4