Ag-doping behavior on (8, 0) single-walled carbon nanotube with single C-vacancy or pyridine-like N3 defect: a DFT study
Sign Up to like & getrecommendations! Published in 2019 at "Carbon Letters"
DOI: 10.1007/s42823-019-00062-8
Abstract: Single C-vacancy and pyridine-like N3 defect are usually formed on the single-walled carbon nanotube (SWCNT) and they have unique properties for potential applications. In this paper, we use density functional theory to investigate the discrepancies… read more here.
Keywords: swcnt; single vacancy; vacancy; vacancy pyridine ... See more keywords
Au modified single vacancy graphene as anchoring material for lithium–sulfur batteries
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138101
Abstract: Abstract Interactions between transition metals (Cr, Mn, Fe, Co, Pt and Au) modified single vacancy graphene and lithium polysulfides have been studied based on the first-principle calculations. By studying the binding energies, adsorption structures, charge… read more here.
Keywords: vacancy graphene; single vacancy; modified single; lithium ... See more keywords
Performance comparison of ideal and defected bilayer graphene nanoribbon FETs
Sign Up to like & getrecommendations! Published in 2017 at "Superlattices and Microstructures"
DOI: 10.1016/j.spmi.2017.06.039
Abstract: Abstract Bilayer graphene has a zero bandgap as the same as monolayer graphene, and thus behaves like a semimetal. Recent studies have shown different methods for opening bandgap of bilayer graphene. One of the opening… read more here.
Keywords: single vacancy; bilayer graphene; ideal; bilayer ... See more keywords
Effects of trapping site on the spectroscopy of 1P1 excited group 12 metal atoms in rare gas matrices
Sign Up to like & getrecommendations! Published in 2019 at "Low Temperature Physics"
DOI: 10.1063/1.5111289
Abstract: A molecular dynamics deposition model has been used to simulate the growth of rare gas matrices doped with atoms of the group 12 elements zinc, cadmium and mercury. This study investigates the sites occupied by… read more here.
Keywords: single vacancy; vacancy; vacancy sites; spectroscopy ... See more keywords
Electronic properties of zigzag silicene nanoribbons with single vacancy defect
Sign Up to like & getrecommendations! Published in 2020 at "Indonesian Journal of Electrical Engineering and Computer Science"
DOI: 10.11591/ijeecs.v19.i1.pp76-84
Abstract: Silicene is envisaged as one of the two-dimensional (2D) materials for future nanoelectronic applications. In addition to its extraordinary electronic properties, it is predicted to be compatible with the silicon (Si) fabrication technology. By using… read more here.
Keywords: silicene nanoribbons; zigzag silicene; single vacancy; electronic properties ... See more keywords
Adsorption of VOCs onto Single Vacancy Defected Germanene Monolayer: a Study on Their Structure and Electronic Properties by DFT Calculations
Sign Up to like & getrecommendations! Published in 2023 at "Polish Journal of Environmental Studies"
DOI: 10.15244/pjoes/163346
Abstract: The two-dimensional germanene material is one of the potential candidates for sensor applications for gases such as VOCs due to its unique structural and electronic properties. The fabrication of these materials is practically not free… read more here.
Keywords: dft calculations; vacancy defected; single vacancy; electronic properties ... See more keywords