Multifunctionalities of an Azine-Linked Covalent Organic Framework: From Nanoelectronics to Nitroexplosive Detection and Conductance Switching

被引：26

作者：

Chakravarty, Chandrima ^{[1
]}

Mandal, Bikash ^{[2
]}

Sarkar, Pranab ^{[1
]}

机构：

[1] Visva Bharati Univ, Dept Chem, Santini Ketan 731235, W Bengal, India

[2] Univ Ulsan, Sch Chem Engn, 93 Daehakro, Ulsan 44610, South Korea

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2018年 / 122卷 / 06期

关键词：

DENSITY-FUNCTIONAL-THEORY; TRANSPORT-PROPERTIES; OPTICAL-PROPERTIES; FEW-LAYER; HYDROGEN; STORAGE; CONDUCTIVITY; CONSTRUCTION; CONJUGATION; BASE;

D O I：

10.1021/acs.jpcc.7b11609

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

By using the state-of-the-art theoretical method, we have investigated the electronic structures of recently synthesized two-dimensional azine-linked covalent organic framework (ACOF-1). Our result indicates that ACOF-1 is a direct band gap semiconductor, suggesting useful application in nanoelectronics. Its one-dimensional (1D) structure also exhibits semiconducting properties. Furthermore, this azine-linked COF is found to be practically useful for selective sensing of nitroaromatics over nitroaliphatics. Lastly, our calculations reveal a more realizable way for using two tautomers of ATFG-COF, a derivative of ACOF-1, in conductance switching device by means of transport property calculation. Therefore, our present study may provide a guideline for multifunctionalities of azine-linked COF (ACOF-1).

引用

页码：3245 / 3255

页数：11

共 83 条

[1] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].

ALLEN, FH ;

KENNARD, O ;

WATSON, DG ;

BRAMMER, L ;

ORPEN, AG ;

TAYLOR, R .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19

[2] DFTB+, a sparse matrix-based implementation of the DFTB method [J].

Aradi, B. ;

Hourahine, B. ;

Frauenheim, Th. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (26) :5678-5684

[3] Electronic confinement and coherence in patterned epitaxial graphene [J].

Berger, Claire ;

Song, Zhimin ;

Li, Xuebin ;

Wu, Xiaosong ;

Brown, Nate ;

Naud, Cecile ;

Mayou, Didier ;

Li, Tianbo ;

Hass, Joanna ;

Marchenkov, Atexei N. ;

Conrad, Edward H. ;

First, Phillip N. ;

de Heer, Wait A. .

SCIENCE, 2006, 312 (5777) :1191-1196

[4] Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework [J].

Cai, Song-Liang ;

Zhang, Yue-Biao ;

Pun, Andrew B. ;

He, Bo ;

Yang, Jinhui ;

Toma, Francesca M. ;

Sharp, Ian D. ;

Yaghi, Omar M. ;

Fan, Jun ;

Zheng, Sheng-Run ;

Zhang, Wei-Guang ;

Liu, Yi .

CHEMICAL SCIENCE, 2014, 5 (12) :4693-4700

[5] Graphene nano-ribbon electronics [J].

Chen, Zhihong ;

Lin, Yu-Ming ;

Rooks, Michael J. ;

Avouris, Phaedon .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2007, 40 (02) :228-232

[6] Charge transport in conjugated aromatic molecular junctions: Molecular conjugation and molecule-electrode coupling [J].

Cohen, Revital ;

Stokbro, Kurt ;

Martin, Jan M. L. ;

Ratner, Mark A. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (40) :14893-14902

[7] Porous, crystalline, covalent organic frameworks [J].

Côté, AP ;

Benin, AI ;

Ockwig, NW ;

O'Keeffe, M ;

Matzger, AJ ;

Yaghi, OM .

SCIENCE, 2005, 310 (5751) :1166-1170

[8] An Azine-Linked Covalent Organic Framework [J].

Dalapati, Sasanka ;

Jin, Shangbin ;

Gao, Jia ;

Xu, Yanhong ;

Nagai, Atsushi ;

Jiang, Donglin .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 135 (46) :17310-17313

[9] Chemical sensing in two dimensional porous covalent organic nanosheets [J].

Das, Gobinda ;

Biswal, Bishnu P. ;

Kandambeth, Sharath ;

Venkatesh, V. ;

Kaur, Gagandeep ;

Addicoat, Matthew ;

Heine, Thomas ;

Verma, Sandeep ;

Banerjee, Rahul .

CHEMICAL SCIENCE, 2015, 6 (07) :3931-3939

[10]

Datta S., 1997, ELECT TRANSPORT MESO

← 1 2 3 4 5 6 7 8 9 →