A simple molecular design for tunable two-dimensional imine covalent organic frameworks for optoelectronic applications

2020 ◽  
Vol 22 (37) ◽  
pp. 21360-21368
Author(s):  
Vivek K. Yadav ◽  
Showkat H. Mir ◽  
Vipin Mishra ◽  
Thiruvancheril G. Gopakumar ◽  
Jayant K. Singh
Keyword(s):  
Electronic Structure ◽  
Work Function ◽  
Carrier Mobility ◽  
Molecular Design ◽  
Optoelectronic Properties ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
Semiconducting Materials ◽  
Optoelectronic Applications

We systematically study the electronic structure, carrier mobility and work function of imine based 2D-COFs. The bandgaps of these semiconducting materials can be tailored by doping with nitrogen for tunable electronic/optoelectronic properties.

Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks

2019 ◽  
Vol 31 (9) ◽  
pp. 3051-3065 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Cheng Zhong ◽  
Michio Matsumoto ◽  
William R. Dichtel ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Two Dimensional ◽  
Covalent Organic Frameworks

scholarly journals Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): Relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics

2022 ◽  
Author(s):  
Xiaojuan Ni ◽  
Hong Li ◽  
Feng Liu ◽  
Jean-Luc Bredas
Keyword(s):  
Electronic Structure ◽  
Molecular Orbital ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
Orbital Symmetry ◽  
Structure Characteristics ◽  
Flat Bands ◽  
Lattice Symmetry ◽  
2D Polymer

Two-dimensional covalent organic frameworks (2D-COFs), also referred to as 2D polymer networks, display unusual electronic-structure characteristics, which can significantly enrich and broaden the fields of electronics and spintronics. In this...

scholarly journals Electronic structural critique of interesting thermal and optical properties of C17Ge germagraphene

2020 ◽  
Vol 22 (16) ◽  
pp. 8606-8615 ◽  
Author(s):  
Sujoy Datta ◽  
Debnarayan Jana
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Thermal Properties ◽  
Work Function ◽  
Hall Conductivity ◽  
Two Dimensional ◽  
Spin Hall Conductivity

We report a theoretical attempt to understand the involvement of the electronic structure in producing spin Hall conductivity and in determining the optical and thermal properties of germagraphene, a buckled two-dimensional material with low work function.

scholarly journals Spontaneous doping of two-dimensional NaCl films with Cr atoms: aggregation and electronic structure

Nanoscale ◽  
2015 ◽  
Vol 7 (6) ◽  
pp. 2366-2373 ◽  
Author(s):  
Zhe Li ◽  
Hsin-Yi Tiffany Chen ◽  
Koen Schouteden ◽  
Ewald Janssens ◽  
Chris Van Haesendonck ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Work Function ◽  
Electronic Properties ◽  
Two Dimensional

Upon deposition of Cr atoms on ultrathin NaCl/Au(111) films they form substituting dopants either replacing Na or Cl ions, thereby changing the electronic properties of the film and in particular the work function.

Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility

Nanoscale ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 3795-3802 ◽  
Author(s):  
Xiaojing Bai ◽  
Xian-Hu Zha ◽  
Yingjie Qiao ◽  
Nianxiang Qiu ◽  
Yiming Zhang ◽  
...  
Keyword(s):  
Work Function ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
High Carrier Mobility ◽  
High Carrier

Potential structures for Lu-Based MXenes.

Optoelectronic Properties and Structural Modification of Conjugated Polymers Based on Benzodithiophene Groups

2019 ◽  
Vol 16 (3) ◽  
pp. 253-260 ◽  
Author(s):  
Jieyun Wu ◽  
Qing Li ◽  
Wen Wang ◽  
Kaixin Chen
Keyword(s):  
Conjugated Polymers ◽  
Molecular Design ◽  
Field Effect Transistors ◽  
Polymer Solar Cells ◽  
Optoelectronic Devices ◽  
Optoelectronic Properties ◽  
Two Dimensional ◽  
Structure Property ◽  
Conjugated Materials ◽  
Organic Optoelectronic

Organic conjugated materials have shown attractive applications due to their good optoelectronic properties, which enable them solution processing techniques in organic optoelectronic devices. Many conjugated materials have been investigated in polymer solar cells and organic field-effect transistors. Among those conjugated materials, Benzo[1,2-b:4,5-b′]dithiophene (BDT) is one of the most employed fused-ring building groups for the synthesis of conjugated materials. The symmetric and planar conjugated structure, tight and regular stacking of BDT can be expected to exhibit the excellent carrier transfer for optoelectronics. In this review, we summarize the recent progress of BDT-based conjugated polymers in optoelectronic devices. BDT-based conjugated materials are classified into onedimensional (1D) and two-dimensional (2D) BDT-based conjugated polymers. Firstly, we introduce the fundamental information of BDT-based conjugated materials and their application in optoelectronic devices. Secondly, the design and synthesis of alkyl, alkoxy and aryl-substituted BDT-based conjugated polymers are discussed, which enables the construction of one-dimensional and two-dimensional BDTbased conjugated system. In the third part, the structure modification, energy level tuning and morphology control and their influences on optoelectronic properties are discussed in detail to reveal the structure- property relationship. Overall, we hope this review can be a good reference for the molecular design of BDT-based semiconductor materials in optoelectronic devices.

scholarly journals Conformational disorder of organic cations tunes the charge carrier mobility in two-dimensional organic-inorganic perovskites

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Chuanzhao Li ◽  
Jin Yang ◽  
Fuhai Su ◽  
Junjun Tan ◽  
Yi Luo ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Molecular Conformation ◽  
Strong Dependence ◽  
Charge Carrier Mobility ◽  
Optoelectronic Properties ◽  
Organic Cations ◽  
Two Dimensional ◽  
Broadband Emission ◽  
Conformational Order

Abstract The chemical nature of the organic cations governs the optoelectronic properties of two-dimensional organic-inorganic perovskites. But its mechanism is not fully understood. Here, we apply femtosecond broadband sum frequency generation vibrational spectroscopy to investigate the molecular conformation of spacer organic cations in two-dimensional organic-inorganic perovskite films and establish a correlation among the conformation of the organic cations, the charge carrier mobility, and broadband emission. Our study indicates that both the mobility and broadband emission show strong dependence on the molecular conformational order of organic cations. The gauche defect and local chain distortion of organic cations are the structural origin of the in-plane mobility reduction and broad emission in two-dimensional organic-inorganic perovskites. Both of the interlayer distance and the conformational order of the organic cations affect the out-of-plane mobility. This work provides molecular-level understanding of the conformation of organic cations in optimizing the optoelectronic properties of two-dimensional organic-inorganic perovskites.

Two-dimensional stanane: strain-tunable electronic structure, high carrier mobility, and pronounced light absorption

2016 ◽  
Vol 18 (21) ◽  
pp. 14638-14643 ◽  
Author(s):  
Xiuhong Liu ◽  
Yu Wang ◽  
Feng Li ◽  
Yafei Li
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Electronic Structure ◽  
Carrier Mobility ◽  
Density Functional ◽  
State Of The Art ◽  
Two Dimensional ◽  
Functional Theory ◽  
High Carrier Mobility ◽  
High Carrier

By means of state-of-the-art density functional theory (DFT) computations, we systematically studied the structural, electronic, and optical properties of a novel two dimensional material, namely stanane (SnH).

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