Výsledky vyhledávání - "Om Vadodaria"

Akademický článek

Li and Na Adsorption on Graphene and Graphene Oxide Examined by Density Functional Theory, Quantum Theory of Atoms in Molecules, and Electron Localization Function

Autor: Nicholas Dimakis, Isaiah Salas, Luis Gonzalez, Om Vadodaria, Korinna Ruiz, Muhammad I. Bhatti

Publikováno v: Molecules, Vol 24, Iss 4, p 754 (2019)

Adsorption of Li and Na on pristine and defective graphene and graphene oxide (GO) is studied using density functional theory (DFT) structural and electronic calculations, quantum theory of atoms in molecules (QTAIM), and electron localization functi

Externí odkaz: https://doaj.org/article/c43c282cc4bc403a8c9d4f2cca3e700a

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Molybdenum disulfide monolayer electronic structure information as explored using density functional theory and quantum theory of atoms in molecules

Autor: Korinna Ruiz, Nicholas Dimakis, Sanju Gupta, Om Vadodaria

Publikováno v: Applied Surface Science. 555:149545

We use density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) to study the electronic structure of pristine and defect molybdenum disulfide (MoS2) monolayers, at dry and hydrated conditions. We study various defect MoS2 conf

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::db09e753b471993e5de1ce9000c7cc09
https://doi.org/10.1016/j.apsusc.2021.149545

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