Graphyne and Its Family: Recent Theoretical Advances

被引：208
作者：
Kang, Jun [1 ,2 ,3 ]
Wei, Zhongming [1 ,2 ]
Li, Jingbo [1 ,2 ]
机构：
[1] Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China
[2] Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 100083, Peoples R China
[3] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
来源：
ACS APPLIED MATERIALS & INTERFACES | 2019年 / 11卷 / 03期
基金：
中国国家自然科学基金;
关键词：
graphyne; graphdiyne; theoretical calculation; electronic properties; applications; ELECTRONIC-PROPERTIES; MECHANICAL-PROPERTIES; TRANSPORT-PROPERTIES; DECORATED GRAPHYNE; GAMMA-GRAPHYNE; OPTICAL-PROPERTIES; ELASTIC PROPERTIES; CARRIER MOBILITY; STORAGE CAPACITY; ION BATTERY;
D O I：
10.1021/acsami.8b03338
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Graphyne and its family are new carbon allotropes in 2D form with both sp and sp(2) hybridization. Recently, the graphyne with different structures have attracted great attentions from both experimental and theoretical communities, especially because the first successful synthesis of graphdiyne, which is a typical member of the graphyne family. In this review, recent theoretical progresses in the research of the graphyne family are summarized. More specifically, we systematically introduce the structural, mechanical, band, electronic transport, and thermal properties of graphyne and its family, as well as their possible applications, such as gas separation, water desalination and purification, anode material for ion battery, H-2 storage, and catalysis application. Several related theoretical methods are also reviewed. The coexistence of sp and sp(2) hybridization and the unique atom arrangement of the graphyne family members bring many novel properties and make them promising materials for many potential applications.
引用
收藏
页码：2692 / 2706
页数：15
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