Unconventional electronic and magnetic properties of nanographene and its host-guest systems
نویسنده
چکیده
منابع مشابه
Role of edges in the electronic and magnetic structures of nanographene
In graphene edges or nanographene, the presence of edges strongly affects the electronic structure depending on their edge shape (zigzag and armchair edges) as observed with the electron wave interference and the creation of non-bonding π -electron state (edge state). We investigate the edge-inherent electronic features and the magnetic properties of edge-sate spins in nanographene/graphene edg...
متن کاملSize Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters
Magnesium oxide nanoclusters have attracted much attention due to their potential applications to catalysis and novel optoelectronic materials. In the present study, we have studied the electronic and magnetic properties of the stoichiometric magnesium oxide nanoclusters (MgO)n for n = 2-20. Although the binding energy increases with the size of the cluster, it re...
متن کاملAmplifying undetectable NMR signals to study host–guest interactions and exchange† †Electronic supplementary information (ESI) available: Experimental details are given in the ESI and include: sample preparations, NMR experiments, and DFT computational methods. See DOI: 10.1039/c6sc04083g Click here for additional data file.
The characteristics of host–guest systems, such as molecular recognition, complexation, encapsulation, guest composition, and dynamic exchange, are manifested by changes in the chemical shifts (Du) in the NMR spectrum. However, in cases where NMR signals cannot be detected, due to low concentrations, poor solubility, or relatively fast exchange, an alternative is needed. Here, we show that by u...
متن کاملEffect of Alkyl Tail on the Visible Spectra and Order Parameters S of some Azo N-Ester-1,8-naphthalimide(ANEN) Disperse Dyestuff
This research is an attempt to measure the effect of alkyl tail on the visible spectra and order parameters S of some azo N-ester-1,8-naphthalimide(ANEN) disperse dyestuff. For the first time, the visible absorption spectra of two azo N-ester-1,8-naphthalimide(ANEN) dyes with identical molecular size and diverse alkyl tails were obtained in liquids and liquid crystalline solvent. Ordinary organ...
متن کاملInvestigation of effect of magnetic ordering on structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu) using ab initio method
Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu) were studied for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...
متن کامل