First-principles studies on structural, electronic and optical properties of Fe-doped NiS2 counter electrode for Dye- sensitised solar cells using DFT+U / Nur Aisyah Ab Malik Marwan …[et al.]

First-principles studies on structural, electronic and optical properties of Fe-doped NiS2 counter electrode for Dye- sensitised solar cells using DFT+U / Nur Aisyah Ab Malik Marwan …[et al.]

The structural, electronic, and optical properties of nickel disulfide (NiS2) and iron (Fe)-doped NiS2 were computed by using first-principles calculations through the density functional theory (DFT) method. The Fe was used as a dopant element to understand the behaviour and the key mechanism of Fe-...

Full description

Bibliographic Details
Main Authors: Ab Malik Marwan, Nur Aisyah, Md Jahangir Alam, Nurakma Natasya, Samat, Mohd Hazrie, Mohyedin, Muhammad Zamir, Hussin, Nur Hafiz, Hassan, Oskar Hasdinor, Yahya, Muhd Zu Azhan, Mohamad Taib, Mohamad Fariz
Format: Article
Language:English
Published: Universiti Teknologi MARA Shah Alam 2020
Subjects:
Physical and theoretical chemistry
Reactive dyes
Online Access:https://ir.uitm.edu.my/id/eprint/34626/

Similar Items

Similar Items