The sp2 character of new two-dimensional AsB with tunable electronic properties predicted by theoretical studies

2019 ◽  
Vol 21 (37) ◽  
pp. 20981-20987
Author(s):  
Jie Zhang ◽  
Huijun Liu ◽  
Yun Gao ◽  
Xiaohong Xia ◽  
Zhongbing Huang
Keyword(s):  
Electronic Material ◽  
Electronic Properties ◽  
Layer Thickness ◽  
Single Layer ◽  
Theoretical Studies ◽  
Two Dimensional ◽  
Direct Bandgap ◽  
Stacking Order ◽  
Orbital Hybridization

We identify a semiconducting 2D electronic material, single-layer AsB, which has a suitable direct bandgap of 1.18 eV. Its frontiers state is sp2 orbital hybridization, which can be effectively tuned by layer thickness, stacking order and strain.

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

2016 ◽  
Vol 18 (24) ◽  
pp. 16229-16236 ◽  
Author(s):  
Xianping Chen ◽  
Chunjian Tan ◽  
Qun Yang ◽  
Ruishen Meng ◽  
Qiuhua Liang ◽  
...  
Keyword(s):  
Electrical Properties ◽  
Electric Field ◽  
Electronic Properties ◽  
External Electric Field ◽  
Multilayer Structure ◽  
2D Systems ◽  
Two Dimensional ◽  
Direct Bandgap ◽  
Boron Phosphide ◽  
Stacking Order

Development of nanoelectronics requires two-dimensional (2D) systems with both direct-bandgap and tunable electronic properties as they act in response to the external electric field (E-field).

scholarly journals Theoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe

2021 ◽  
Vol 37 (2) ◽  
Author(s):  
Nguyen Van Chuong ◽  
Nguyen Ngoc Hieu ◽  
Nguyen Van Hieu
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Structural And Electronic Properties ◽  
Direct Band ◽  
New Type

This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.

scholarly journals Two-dimensional silicon bismotide (SiBi) monolayer with a honeycomb-like lattice: first-principles study of tuning the electronic properties

RSC Advances ◽  
2020 ◽  
Vol 10 (53) ◽  
pp. 31894-31900 ◽  
Author(s):  
Asadollah Bafekry ◽  
Fazel Shojaei ◽  
Mohammed M. Obeid ◽  
Mitra Ghergherehchi ◽  
C. Nguyen ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Layer Thickness ◽  
First Principles ◽  
Mechanical Strain ◽  
Dft Method ◽  
Two Dimensional ◽  
First Principles Study

The modulation of the electronic properties of SiBi monolayer via external means, including layer thickness, electric field and mechanical strain are explored with DFT method.

High elastic moduli, controllable bandgap and extraordinary carrier mobility in single-layer diamond

2020 ◽  
Vol 8 (39) ◽  
pp. 13819-13826
Author(s):  
Ting Cheng ◽  
Zhongfan Liu ◽  
Zhirong Liu
Keyword(s):  
Mechanical Strength ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Room Temperature ◽  
Elastic Moduli ◽  
Single Layer ◽  
First Principles Calculations ◽  
High Mechanical Strength ◽  
Direct Bandgap

Fluorinated single layer diamond is found by first-principles calculations to be a wide-direct bandgap material at the Γ-point, exhibiting a high mechanical strength, adjustable electronic properties and extraordinary carrier mobility at room temperature.

scholarly journals Van der Waals epitaxy of two-dimensional single-layer h-BN on graphite by molecular beam epitaxy: Electronic properties and band structure

2018 ◽  
Vol 112 (25) ◽  
pp. 253102 ◽  
Author(s):  
Debora Pierucci ◽  
Jihene Zribi ◽  
Hugo Henck ◽  
Julien Chaste ◽  
Mathieu G. Silly ◽  
...  
Keyword(s):  
Molecular Beam Epitaxy ◽  
Band Structure ◽  
Electronic Properties ◽  
Molecular Beam ◽  
Van Der Waals ◽  
Single Layer ◽  
Two Dimensional

Tuning the photocatalytic water-splitting capability of two-dimensional α-In2Se3 by strain-driven band gap engineering

2020 ◽  
Vol 22 (6) ◽  
pp. 3520-3526 ◽  
Author(s):  
Erik F. Procopio ◽  
Renan N. Pedrosa ◽  
Fábio A. L. de Souza ◽  
Wendel S. Paz ◽  
Wanderlã L. Scopel
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Band Gap ◽  
Electronic Properties ◽  
Water Splitting ◽  
Density Functional ◽  
Single Layer ◽  
Two Dimensional ◽  
Functional Theory ◽  
Band Gap Engineering

In this work, we have investigated the effects of in-plane mechanical strains on the electronic properties of single-layer α-In2Se3 by means of density functional theory (DFT) calculations.

Making Graphene-type Material via Polymerization of Porphyrin

2020 ◽  
Author(s):  
SANJIB KAR ◽  
Sruti Mondal ◽  
Kasturi Sahu ◽  
Dilruba Hasina ◽  
Tapobrata Som ◽  
...  
Keyword(s):  
Layer Thickness ◽  
Polymeric Material ◽  
Single Layer ◽  
Type Material ◽  
Synthetic Pathway ◽  
Simple Chemical ◽  
Doped Graphene ◽  
Ring Nitrogen ◽  
2D Structure ◽  
Porphyrin Macrocycles

<p>The synthesis of new graphene-type materials (<i>via</i> polymerization of porphyrin macrocycles) through a simple chemical synthetic pathway (at RT) has been demonstrated. This newly synthesized material can be dispersed in water with an average sheet size of few microns and with single layer thickness. As the porphyrin contains four inner ring nitrogen atoms thus the presented polymeric material will be close analogous of N-doped graphene. Porphyrin as the key component to synthesize layered graphene type continuous 2D structure has never been attempted before. </p> <p> </p>

Sign in / Sign up

Export Citation Format

Share Document