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Boosting Photocatalytic Nitrogen Fixation via Nanoarchitectonics Using Oxygen Vacancy Regulation in W-Doped Bi<sub>2</sub>MoO<sub>6</sub> Nanosheets

Manisha Sharma, Ashish Kumar, Deepika Gill, Shilpi Jaiswal, Abhijit Patra, Saswata Bhattacharya, Venkata Krishnan

2023ACS Applied Materials & Interfaces73 citationsDOI

Abstract

Ammonia and nitrates are key raw materials for various chemical and pharmaceutical industries. The conventional methods like Haber–Bosch and Ostwald methods used in the synthesis of ammonia and nitrates, respectively, result in harmful emission of gases. In recent years, the photocatalytic fixation of N 2 into NH 3 and nitrates has become a hot topic since it is a green and cost-effective approach. However, the simultaneous production of ammonia and nitrates has not been studied much. In this regard, we have synthesized W-doped Bi 2 MoO 6 nanosheets in various molar ratios and demonstrated their potential as efficient photocatalysts for the simultaneous production of NH 3 and NO 3 – ions under visible light irradiation. It was found that one of the catalysts (BMWO0.4) having an optimal molar ratio of doped tungsten showed the best photocatalytic NH 3 production (56 μmol h –1 ) without using any sacrificial agents along with the simultaneous production of NO 3 – ions at a rate of 7 μmol h –1 . The enhanced photocatalytic activity of the synthesized photocatalysts could be ascribed to oxygen vacancy defects caused by Mo substitution by a more electronegative W atom. Furthermore, density functional theory calculations verified the alteration in the band gap after doping of W atoms and also showed a strong chemisorption of N 2 over the photocatalyst surface leading to its activation and thereby enhancing the photocatalytic activity. Thus, the present work provides insights into the effect of structural distortions on tailoring the efficiency of materials used in photocatalytic N 2 fixation.

Topics & Concepts

Materials sciencePhotocatalysisBoosting (machine learning)NitrogenDopingOxygenNanotechnologyNitrogen fixationChemical engineeringOptoelectronicsPhotochemistryCatalysisOrganic chemistryComputer scienceEngineeringChemistryMachine learningAdvanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen ReductionCovalent Organic Framework Applications