A Comparative DFT Study of Bandgap Engineering and Tuning of Structural, Electronic, and Optical Properties of 2D WS2, PtS2, and MoS2 between WSe2, PtSe2, and MoSe2 Materials for Photocatalytic and Solar Cell Applications

• Main Authors: Jameel, Muhammad Hasnain, Roslan, Muhammad Suf, Mayzan, Mohd Zul Hilmi, A. Shaaban, Ibrahim, Haider Rizv, Syed Zuhaib, Agam, Mohd Arif, Saleem, Shahroz, A. Assiri, Mohammed
• Format: Article
• Language: English
• Published: 2023
• Subjects: QC170-197 Atomic physics. Constitution and properties of matter. Including molecular physics, relativity, quantum theory, and solid state physics
• Online Access: http://eprints.uthm.edu.my/11674/1/J16581_58c80ce4275e136d5e9eeaa366cf906f.pdf; http://eprints.uthm.edu.my/11674/; https://doi.org/10.1007/s10904-023-02828-0

In early twenty-frst century, 2D materials are among the most systematically reachable in the feld of material science. Due to its semiconductor properties, the transition metal dichalcogenide family has received attention. In the current research, the GGA-PBE simulation approximation is used to tu...