Synergistic Role of Substitutional Au and S-Vacancies in MoS2 in Catalyzing Direct Synthesis of Hydrogen Peroxide: First-Principles Analysis
Lakshay Dheer,
Meghna A. Manae,
Umesh V. Waghmare
Abstract:Hydrogen peroxide (H 2 O 2 ), a highly reactive molecule owing to its unstable peroxide bond, is commonly used as an oxidizing, bleaching, and antiseptic agent. Direct synthesis of H 2 O 2 (DSHP) is a controlled and efficient alternative to the current route for its commercial production using the anthraquinone autooxidation process. Presently, materials which catalyze DSHP suffer from the issues of selectivity and reusability. Here, we demonstrate Au-substituted (at S sites) 1H-MoS 2 with S-vacancies (Au x Mo… Show more
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