Results 171 to 180 of about 2,766 (188)

Graphene to graphane: Two-band approach

Superlattices and Microstructures, 2015
Abstract Density of states, electronic heat capacity and paramagnetic susceptibility of both pristine and hydrogenated graphene are investigated within tight-binding model and Green's function formalism, considering the contribution of the σ and π bands.
Hamze Mousavi, Jabbar Khodadadi
openaire   +1 more source

DFT investigations of silicane/graphane conformers

Computational Materials Science, 2015
Abstract In the present work, five different atomic configurations of fully hydrogenated silicene/graphene hybrid sheet, namely chair, boat, zigzag, armchair and table have been studied. Using DFT-based calculations method, it was found that the arrangement of the absorbed hydrogen atoms influences significantly the structural and electronic ...
L.B. Drissi, K. Sadki, F. El Yahyaoui, E.H. Saidi, M. Bousmina, O. Fassi-Fehri   +5 more
openaire   +1 more source

Strong Influence of Graphane Island Configurations on the Electronic Properties of a Mixed Graphene/Graphane Superlattice

The Journal of Physical Chemistry C, 2012
We focus on the description of a complex mechanism whereby the graphene electronic properties vary in the case of graphene hydrogenation as periodic graphene/ graphane structures are formed. Two nonmonotonic depend- ences of the band gap on the hydrogen concentration and on the arrangement of adsorbed hydrogen atoms on the graphene surface were ...
Leonid A. Chernozatonskii, Dmitry G. Kvashnin, Pavel B. Sorokin, Alexander G. Kvashnin, Jochen W. Brüning   +4 more
openaire   +1 more source

Edge Vibrations of Graphane Nanoribbons

Physics of the Solid State, 2018
Using the COMPASS force field, natural linear vibrations of graphane (graphene hydrogenated on both sides) nanoribbons are simulated. The frequency spectrum of a graphane sheet consists of three continuous intervals (low-frequency, mid-frequency, and narrow high-frequency) and two gaps between them. The construction of dispersion curves for nanoribbons
openaire   +1 more source

Nucleobases adsorption studies on chair graphane nanosheets – A DFT outlook

Inorganic Chemistry Communication, 2023
R Chandiramouli
exaly  

Production of graphene and graphane

2015
The present invention provides a method for the production in an electrochemical cell of one or more of graphene, graphite nanoplatelet structures having a thickness of less than 100nm, and graphane, wherein the cell comprises: (a) a negative electrode which is graphitic; (b) a positive electrode which may be graphitic or another material; and (c) an ...
Dryfe, Robert, Kinloch, Ian, Abdelkader, A M   +2 more
openaire   +1 more source

Synthesis and applications of graphane

2023
Rajashree Sahoo, Paritosh Chaudhuri, Arpan Kumar Nayak   +2 more
openaire   +1 more source

Interaction studies of propylene and butadiene on tricycle graphane nanosheet – A DFT outlook

Journal of Molecular Graphics and Modelling, 2023
R Chandiramouli
exaly  

On the Way to Graphane—Pronounced Fluorescence of Polyhydrogenated Graphene

Angewandte Chemie - International Edition, 2013
Jan M Englert, Frank Hauke, Thomas Seyller   +2 more
exaly  

Toward High Throughput Interconvertible Graphane-to-Graphene Growth and Patterning

ACS Nano, 2010
Yu Wang, Xiangfan Xu, Jiong Lu
exaly