Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants: Experimental and DFT correlation

Madhuri S. Patil, Narasimharao Kitchamsetti, Sameena R. Mulani, Sachin R. Rondiya, Nishad G. Deshpande, Ranjit A. Patil, Russell W. Cross, Nelson Y. Dzade, Kirankumar K. Sharma, Pramod S. Patil, Yuan Ron Ma, Hyung Koun Cho, Rupesh S. Devan

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


We have synthesized closely packed hexagonal 2D plates and clustered nanoparticle morphologies of Ba(Sb/Ta)2O6 (BSTO) perovskite via the polymerizable complex method for photocatalytic dye degradation activities. The BSTO crystallized in a hexagonal structure. The presence of Ba2+, Sb5+, Ta5+, and O2− chemical states identified from XPS confirmed the formation of mixed Ba(Sb/Ta)2O6 phase accompanied with a minor amount of TaOx. Furthermore, BSTO showed excellent photocatalytic activity for the degradation of various organic dyes. The kinetic studies revealed 65.9%, 77.3%, 89.8%, and 84.2%, of Crystal Violet (CV), Methylene Blue (MB), Rhodamine blue (RhB), and Methylene Orange (MO), respectively, after irradiation of 180 min without using a cocatalyst. The formation of O2 and OHsurface radicals, which are believed to facilitate the degradation of the dyes, are unveiled through first-principles Density Functional Theory (DFT) calculations and scavenging studies. Our results suggest that BSTO holds promise as an excellent photocatalyst with better degradation efficiency for various organic dyes.

Original languageEnglish (US)
Pages (from-to)201-209
Number of pages9
JournalJournal of the Taiwan Institute of Chemical Engineers
StatePublished - May 2021

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering


Dive into the research topics of 'Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants: Experimental and DFT correlation'. Together they form a unique fingerprint.

Cite this