Electronic structures of porous nanocarbons
نویسندگان
چکیده
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified picture that permits us to analytically predict and systematically characterize metal-semiconductor transitions in nanocarbons with superlattices of nanopores of different sizes and types. These novel materials with highly tunable band structures have numerous potential applications in electronics, light detection, and molecular sensing.
منابع مشابه
Evaluation of Hydrogen Particle Volume on Surfaces of Selected Nanocarbons
This paper describes an approach to the adsorption phenomena modeling aimed at specifying the adsorption mechanisms on localized or nonlocalized adsorbent sites, when applied to the nanocarbons. The concept comes from the fundamental thermodynamic description of adsorption equilibrium and is based on numerical calculations of the hydrogen adsorbed particles volume on the surface of selected nan...
متن کاملCopolymer-templated nitrogen-enriched porous nanocarbons for CO2 capture.
Nitrogen-enriched porous carbon materials made via the carbonization of polyacrylonitrile containing block copolymer act as efficient and highly selective CO(2) sorbents. Nitrogen content and surface area, which are both influenced by pyrolysis temperature and atmosphere, are crucial for CO(2) adsorption performance.
متن کاملElectronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study
The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigz...
متن کاملThree-dimensional porous graphene networks expand graphene-based electronic device applications.
In recent years, there has been increasing demand for 3D porous graphene structures with excellent 2D characteristics and great potential. As one avenue, several approaches for fabricating 3D porous graphene network structures have been proposed to realize multi-functional graphene materials with 2D graphene structures. Herein, we overview characteristics of 3D porous graphene for applications ...
متن کاملFabrication of multi-structure nanocarbons from carbon xerogel: a unique scaffold towards bio-imaging.
A novel route has been developed to fabricate different carbon nanostructures having individual morphology of carbon nanoparticles: nanofullerene, nanocube, nanoleaf and porous nanorods, through the combustion of carbon xerogel with nitric acid. These fabricated nanostructures exhibited bright green fluorescence under the exposure of UV light.
متن کامل