منابع مشابه
Architecture of graphdiyne nanoscale films.
We have demonstrated a methodology to generate large area graphdiyne films with 3.61 cm(2) on the surface of copper via a cross-coupling reaction using hexaethynylbenzene. The device based on graphdiyne films for measurement of electrical property is fabricated and shows conductivity of 2.516 x 10(-4) S m(-1) indicating a semiconductor property.
متن کاملGraphdiyne: a versatile nanomaterial for electronics and hydrogen purification.
We theoretically extend the applications of graphdiyne, an experimentally available one-atom-thin carbon allotrope, to nanoelectronics and superior separation membrane for hydrogen purification on a precise level.
متن کاملStructural and electronic properties of bilayer and trilayer graphdiyne.
Stimulated by the recent experimental synthesis of a new layered carbon allotrope-graphdiyne film, we provide the first systematic ab initio investigation of the structural and electronic properties of bilayer and trilayer graphdiyne and explore the possibility of tuning the energy gap via a homogeneous perpendicular electric field. Our results show that the most stable bilayer and trilayer gra...
متن کاملGraphdiyne as a promising material for detecting amino acids
The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room t...
متن کاملWidely tunable band gaps of graphdiyne: an ab initio study.
Functionalization of graphdiyne, a two-dimensional atomic layer of sp-sp(2) hybrid carbon networks, was investigated through first-principles calculations. Hydrogen or halogen atoms preferentially adsorb on sp-bonded carbon atoms rather than on sp(2)-bonded carbon atoms, forming sp(2)- or sp(3)-hybridization. The energy band gap of graphdiyne is increased from ~0.5 eV to ~5.2 eV through the hyd...
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ژورنال
عنوان ژورنال: Joule
سال: 2018
ISSN: 2542-4351
DOI: 10.1016/j.joule.2018.07.031