Tuning the electronic and magnetic properties of graphyne by hydrogenation
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.05.054
Abstract: Abstract First-principles calculations are performed to study the electronic and magnetic properties of graphyne by chemisorption of hydrogen atoms. The results show that it is possible to tailor the magnetism of selected graphyne regions. More… read more here.
Keywords: tuning electronic; properties graphyne; magnetic properties; graphyne hydrogenation ... See more keywords
Mechanical properties of γ-graphyne nanotubes
Sign Up to like & getrecommendations! Published in 2018 at "RSC Advances"
DOI: 10.1039/c8ra01970c
Abstract: γ-Graphyne nanotubes (γ-GNTs), which are formed by rolling up a γ-graphyne sheet in a similar way to carbon nanotubes, exhibit unique mechanical properties due to the carbon atoms in the sp and sp2 hybridized states.… read more here.
Keywords: properties graphyne; fracture; vacancy; properties gnts ... See more keywords
Spin-Resolved Electronic and Transport Properties of Graphyne-Based Nanojunctions with Different N-Substituting Positions
Sign Up to like & getrecommendations! Published in 2019 at "Nanoscale Research Letters"
DOI: 10.1186/s11671-019-3133-5
Abstract: Since the rapid development of theoretical progress on the two-dimensional graphyne nanoribbons and nanojunctions, here we investigate the electronic band structures and transport properties for the junctions based on armchair-edged γ-graphyne nanoribbons (AγGYNRs) with asymmetrically… read more here.
Keywords: resolved electronic; properties graphyne; transport properties; transport ... See more keywords
Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal
Sign Up to like & getrecommendations! Published in 2023 at "Materials"
DOI: 10.3390/ma16051964
Abstract: We report the geometry, kinetic energy, and some optical properties of the 6,6,12-graphyne-based systems. We obtained the values of their binding energies and structural characteristics such as bond lengths and valence angles. Moreover, using nonorthogonal… read more here.
Keywords: based isolated; crystal; thermal stability; properties graphyne ... See more keywords