A DFT study of bandgap tuning in chloro-fluoro silicene

Author:

Khan Uzair1,Saeed M. Usman1,Elansary Hosam O.2,Moussa Ihab Mohamed3,Bacha Aziz-Ur-Rahim4ORCID,Saeed Y.1ORCID

Affiliation:

1. Department of Physics, Abbottabad University of Science and Technology, Abbottabad, KPK, Pakistan

2. Department of Plant Production, College of Food Agriculture Sciences, King Saud University, Riyadh 11451, Saudi Arabia

3. Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia

4. State Key Laboratory of Urban Water Resource and Environment, Shenzhen Key Laboratory of Organic Pollution Prevention and Control, School of Civil and Environmental Engineering, Harbin Institute of Technology Shenzhen, Shenzhen 518055, P. R. China

Abstract

The structural, electronic and optical properties of silicene and its derivatives are investigated in the present work by employing density functional theory.

Funder

Ministry of Education – Kingdom of Saudi Arabia

Higher Education Commision, Pakistan

Publisher

Royal Society of Chemistry (RSC)

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