DFT and experimental investigations on the photocatalytic activities of NiO nanobelts for removal of organic pollutants

• DOI: 10.1016/j.jallcom.2020.157337
• Publication Date: 2020-09-26T04:39:53Z
• Authors: Narasimharao Kitc...; Mrunmay S. Ramteke; Sachin R. Rondiya; Sameena R. Mulani; Madhuri S. Patil; Russell W. Cross; Nelson Y. Dzade; Rupesh S. Devan
• Keywords: Non-blocking I/O; Degradation

NiO nanobelts synthesized using the hydrothermal method are explored for photocatalytic degradation of organic pollutants like RhB, MO, MB, and CV. The XPS analysis confirmed formation stoichiometric nanobelts. Few micrometer long cubic crystalline average thickness ∼75 nm delivered a bandgap 4.07 eV. FTIR studies revealed that mesoporous stable activities after controlled irradiation under xenon lamp. kinetic showed 79.1, 82.7, 76.7, 89% CV, RhB 140 min at rate constants (k) 0.007, 0.008, 0.009, 0.012 min−1, respectively. Complementary first-principles Density Functional Theory (DFT) scavenging chemical picture influence O2−, photogenerated H+ from in dyes. These corroborate use eco-friendly wide range pollutants.