TY - JOUR
T1 - Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants
T2 - Experimental and DFT correlation
AU - Patil, Madhuri S.
AU - Kitchamsetti, Narasimharao
AU - Mulani, Sameena R.
AU - Rondiya, Sachin R.
AU - Deshpande, Nishad G.
AU - Patil, Ranjit A.
AU - Cross, Russell W.
AU - Dzade, Nelson Y.
AU - Sharma, Kirankumar K.
AU - Patil, Pramod S.
AU - Ma, Yuan Ron
AU - Cho, Hyung Koun
AU - Devan, Rupesh S.
N1 - Funding Information:
The authors would like to thank TARE-SERB-DST India and UGC-DAE CSR Indore for their financial support to this research under grant No. TAR/2019/000106 and CSR-IC-BL-65/CRS-182/2017–18/189, respectively. SRR and NYD acknowledge the UK Engineering and Physical Sciences Research Council (EPSRC) for funding (Grant No. EP/S001395/1 ). This work has also used the computational facilities of the Advanced Research Computing, Cardiff (ARCCA) Division at Cardiff University and HPC Wales, This work also utilize the facilities of ARCHER ( http://www.archer.ac.uk ), the UK's national supercomputing service via the membership of the HEC Materials Chemistry Consortium funded by EPSRC (EP/L000202). Information on the data that underpins the results presented here, including how to access them, can be found in the Cardiff University data catalogue at http://doi.org/10.17035/d.2021.0133743636 .
Publisher Copyright:
© 2021 The Authors
PY - 2021/5
Y1 - 2021/5
N2 - 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 OH−surface 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.
AB - 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 OH−surface 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.
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U2 - 10.1016/j.jtice.2021.04.032
DO - 10.1016/j.jtice.2021.04.032
M3 - Article
AN - SCOPUS:85105573953
SN - 1876-1070
VL - 122
SP - 201
EP - 209
JO - Journal of the Taiwan Institute of Chemical Engineers
JF - Journal of the Taiwan Institute of Chemical Engineers
ER -