Lanthanum and Indium intermetallics nanomaterial for thermal photovoltaic applications - A full potential study

D S Jayalakshmi; G Akshaya; Govindasamy Murugadoss; Hakim Al Garalleh; Albara Ibrahim Alrawashdeh; Mohammed Ali Alshehri; A Pugazhendhi

doi:10.1016/j.envres.2024.118783

Lanthanum and Indium intermetallics nanomaterial for thermal photovoltaic applications - A full potential study

Environ Res. 2024 Apr 1;252(Pt 1):118783. doi: 10.1016/j.envres.2024.118783. Online ahead of print.

Authors

D S Jayalakshmi¹, G Akshaya², Govindasamy Murugadoss³, Hakim Al Garalleh⁴, Albara Ibrahim Alrawashdeh⁵, Mohammed Ali Alshehri⁶, A Pugazhendhi⁷

Affiliations

¹ Department of Physics, Sathyabama Institute of Science and Technology, Chennai, India. Electronic address: jayalakshmi.physics@sathyabama.ac.in.
² Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore, India.
³ Centre for Nanoscience and Nanotechnology, Sathyabama Institute of Science and Technology, Chennai-600 119, Tamil Nadu, India.
⁴ Department of Mathematical Science, College of Engineering, University of Business and Technology, Jeddah 21361, Saudi Arabia.
⁵ Department of General Subjects, College of Engineering, University of Business and Technology, Jeddah 21361, Saudi Arabia; Department of Chemistry and Chemical Technology, College of Science, Tafila Technical University, Tafila 66110 Jordan.
⁶ Department of Biology, Faculty of Science, University of Tabuk, Tabuk 71491, Saudi Arabia.
⁷ School of Engineering, Lebanese American University, Byblos, Lebanon; Centre for Herbal Pharmacology and Environmental Sustainability, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Kelambakkam, 603103, Tamil Nadu, India. Electronic address: arivu.puga85@myyahoo.com.

PMID: 38570125
DOI: 10.1016/j.envres.2024.118783

Abstract

In this work Full Potential study performed on Lanthanum compounds to analyze its photovoltaic properties. Five different combinations of Lanthanum and Indium with phosphorus are chosen in this study are La₃P, La₂InP, LaIn₂P, LaP and InP. The optical, structural, thermoelectric, thermal, and electronic properties of all the above-mentioned compounds are analyzed using Density Functional Theory (DFT) applied in the WIEN2k software. Based on the analysis of electronic properties is concluded that La₃P, LaP, La₂InP and LaIn₂P are conductors whereas InP is semiconductor (direct band gap) with band gap (energy) value 0.39 eV. The optical properties analysis shows these materials have desirable properties in the near UV or in the UV region. The low value of Gibbs energy indicates high thermodynamic stability. Power factor values for La₂InP, LaP, InP and La₃P are found to be in agreement with existing thermoelectric material, rendering them as potential thermal photovoltaic materials.

Keywords: Composites; Energy storage; Optical properties; Photovoltaic; Thermoelectric.