Is Rb2PtX6 (X = Cl, Br, and I) a promising Pb-free vacancy-ordered double perovskites for photoelectrochemical water splitting applications?

Hemidi D., Seddik T., Benmessabih T., Batouche M., Ouerghui W., Abdallah H. B., ...Daha Fazla

Applied Physics A: Materials Science and Processing, cilt.129, sa.11, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 129 Sayı: 11
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1007/s00339-023-07034-w
  • Dergi Adı: Applied Physics A: Materials Science and Processing
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex
  • Anahtar Kelimeler: Double perovskites, Electronic properties, Optical properties, Photocatalyst, Water splitting
  • Gazi Üniversitesi Adresli: Evet

Özet

In this work, the band structure feature, charge carrier mobility, optical properties, and photocatalytic performance of platinum-based vacancy-ordered double perovskites Rb2PtX6 (X = Cl, Br, and I) are investigated. The results show the semiconducting character of all three materials with band gap values equal to 3.39 eV, 2.76 eV, and 1.45 eV, for Rb2PtCl6, Rb2PtBr6, and Rb2PtI6, respectively. Furthermore, the calculated electron and hole effective masses yield a higher relative mass of hole-electron pairs (D), resulting in a slow recombination rate in these materials. The optical properties are also calculated, where the entitled materials show high absorption intensities in the visible and ultraviolet regions. Moreover, it is discovered that the Rb2PtCl6 and Rb2PtBr6 compounds can produce both oxygen and hydrogen at the same time. In contrast, the Rb2PtI6 material has a poor water-splitting ability and may be a promising photocatalyst for CO2 photoreduction.