New article by the scientific team of Professor O.E. Glukhova

In the Materials magazine (5-year impact factor 3.532 according to JCR - Web of Science) of the MDPI publishing house (https://www.mdpi.com/) a new article of the scientific group of professor O.E. Glukhova. The article "Controlling the Electronic Properties of a Nanoporous Carbon Surface by Modifying the Pores with Alkali Metal Atoms" was featured in the thematic issue of Graphene and Other 2D Layered Nanomaterials and Hybrid Structures: Synthesis, Properties and Applications. The work is devoted to studying the process of controlling the surface properties of nanoporous carbon thin films when filling surface pores with potassium atoms. The study was carried out using computer simulation methods - molecular dynamics and the quantum-mechanical density functional method in the tight-binding approximation. In the course of numerical experiments, the presence of impurities on the surface in the form of chemically adsorbed atoms of hydrogen, oxygen, and OH groups was taken into account. According to the results of the studies, it was found that even in the presence of impurities, the work function of the film can be reduced by several tenths of electron-volts when doping nanopores with potassium atoms. The results can be used by experimenters to create the surface of the emitting tip of the field emission cathode. Immediately after the appearance of the magazine Materials on the website, the article aroused keen interest among the audience of readers of the magazine. In the first two weeks of its stay on the magazine’s website, the article has already collected 280 views and more than 100 downloads.

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Predictive multiscale modeling in life sciences and sphere of high technologies