What is it about?
Electronic properties of the ZnO nanostructures were calculated using semi-empirical PM7 method. Additionally these properties were calculated for the hybrid ZnO/ascorbic acid systems. The influence of the ascorbic acid on the corrosion of nanoparticles was investigated. Was found that the ascorbic acid can prevent the corrosion of ZnO nanostructures. Correctness of the performed calculations was examined experimentally.
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Why is it important?
The undertaken topic is important in the nanoparticles application in many areas of life. Presented work concern the quantum chemical calculations performed for the first time for the ZnO based hybrid systems.
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This page is a summary of: Anti-corrosive surface effect of ascorbic acid caused on the ZnO nanoparticles — Experimental and theoretical investigations, Applied Surface Science, March 2019, Elsevier,
DOI: 10.1016/j.apsusc.2019.03.324.
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