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STRUCTURE-BASED MOLECULAR DESIGN OF THE METAL AND NON‑METAL PHTHALOCYANINES ADSORPTION ON BiVO4

Mirabbos HojamberdievNational University of Uzbekistan, Tashkent, Uzbekistan; Uzbek-Japan Innovation Center of Youth, Tashkent, UzbekistanMadina ROZIBAEVAAlbert KoldarovInstitute of General and Inorganic Chemistry, Tashkent, Uzbekistan; Tashkent Chemical-Technological Institute, Tashkent, UzbekistanShahlo Sharipovna DaminovaNational University of Uzbekistan, Tashkent, Uzbekistan; Uzbek-Japan Innovation Center of Youth, Tashkent, UzbekistanZukhra C. KadirovaUzbek-Japan Innovation Center of Youth, Tashkent, Uzbekistan; Tashkent Chemical-Technological Institute, Tashkent, Uzbekistan

2024en

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ABI

Annotatsiya

Bismuth vanadate (BiVO4) and its hybrids have strong photocatalytic effect on water splitting and photodegradation of organic pollutants under visible light. The main goal is design of efficient electrocatalysts containing different metal ions and functional groups which are capable of catalysing the electrochemical reactions at low overpotentials especially for hydrogen and oxygen evolution reactions. The objects of the study are visible–light photocatalyst – BiVO4, novel cobalt and palladium substituted phthalocyanines ([poly(Co(II)TPpPc)] - phenolphthalein-embedded cobalt phthalocyanine polymer, PdTAHAPc - palladium amide bridge hippuric acid phthalocyanine). The adsorption of different phtalocyanines molecules was modeled by Monte Carlo method simulation. The BiVO4 (112) substrate were loaded with different substituted and unsubstituted phtalocyanines molecules, allowing to find the lowest energy adsorption sites.

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Identifikatorlar

DOI: 10.70189/1992-9498.1581

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