Computational evaluation of novel barium zinc chalcogenides Ba<sub>2</sub>ZnCh<sub>3</sub> (Ch = S, Se, Te) for advanced optoelectronic applications-Reference-Cited by-同舟云学术

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Computational evaluation of novel barium zinc chalcogenides Ba₂ZnCh₃ (Ch = S, Se, Te) for advanced optoelectronic applications

Published:2023 Issue:5 Volume:25 Page:4035-4046
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Salman Khan Muhammad¹^ORCID,Gul Banat²,Wafa Guenez³,Khan Gulzar¹

Affiliation:

1. Department of Physics, Abdul Wali Khan University, Mardan, 23200, Pakistan

2. National University of Sciences and Technology (NUST), Islamabad, Pakistan

3. Laboratory of Applied and Theoretical Physics (LPAT), University of Larbi Tebessi, 12000, Tebessa, Algeria

Abstract

Computed total and partial density of states plot for Ba2ZnS3 material.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03711D

Reference54 articles.

1. Computational predictions of energy materials using density functional theory

2. Energy conversion approaches and materials for high-efficiency photovoltaics

3. First-principles study of anion diffusion in lead-free halide double perovskites

4. First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)

5. Insight into the optoelectronic and thermoelectric nature of NaLiX (X = S, Se, Te) novel direct bandgap semiconductors: a first-principles study

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1. Defect-induced modifications in electronic and thermoelectric properties of pentagonal PdX₂ (X = Se, S) monolayers;Electronic Structure;2024-06-01

2. Comprehensive exploration of halide double perovskites Cs2BʹGeCl6 (Bʹ: Zn, Cd) for affordable energy technologies: a high-throughput investigation;Optical and Quantum Electronics;2024-05-09

3. Computational study of stability, photovoltaic, and thermoelectric properties of new inorganic lead-free halide perovskites;Europhysics Letters;2024-04-01

4. A first-principles study of the electronic, optical, and transport properties of novel transition-metal dichalcogenides;Materials Advances;2023

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