Next Article in Journal
Exponents of Spectral Functions in the One-Dimensional Bose Gas
Previous Article in Journal
Challenging X-ray Fluorescence Applications for Environmental Studies at XLab Frascati
Article Menu

Export Article

Open AccessArticle
Condens. Matter 2018, 3(4), 34; https://doi.org/10.3390/condmat3040034

Bandgap Tunability in a One-Dimensional System

1
Department of Physics, Indian Institute of Technology Ropar, Nangal Road, Rupnagar, Punjab 140001, India
2
Manufacturing Flagship, CSIRO, Lindfield West, New South Wales 2070, Australia
3
School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane, Queensland 4000, Australia
4
Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, Punjab 140001, India
5
Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India
*
Author to whom correspondence should be addressed.
Received: 20 September 2018 / Revised: 18 October 2018 / Accepted: 20 October 2018 / Published: 22 October 2018
Full-Text   |   PDF [2861 KB, uploaded 22 October 2018]   |  

Abstract

The ability to tune the gaps of direct bandgap materials has tremendous potential for applications in the fields of LEDs and solar cells. However, lack of reproducibility of bandgaps due to quantum confinement observed in experiments on reduced dimensional materials, severely affects tunability of their bandgaps. In this article, we report broad theoretical investigations of direct bandgap one-dimensional functionalized isomeric system using their periodic potential profile, where bandgap tunability is demonstrated simply by modifying the potential profile by changing the position of the functional group in a periodic supercell. We found that bandgap in one-dimensional isomeric systems having the same functional group depends upon the width and depth of the deepest potential well at global minimum and derived correlations are verified for known synthetic as well as natural polymers (biological and organic), and also for other one-dimensional direct bandgap systems. This insight would greatly help experimentalists in designing new isomeric systems with different bandgap values for polymers and one-dimensional inorganic systems for possible applications in LEDs and solar cells. View Full-Text
Keywords: density functional theory; bandgap; polymers; nanoribbons; one-dimensional systems density functional theory; bandgap; polymers; nanoribbons; one-dimensional systems
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Wadhwa, P.; Kumar, S.; Kumar, T.D.; Shukla, A.; Kumar, R. Bandgap Tunability in a One-Dimensional System. Condens. Matter 2018, 3, 34.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Condens. Matter EISSN 2410-3896 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top