A first principle study of graphene functionalized with hydroxyl, nitrile, or methyl groups (original) (raw)
Related papers
Structural and Electronic Properties of Functionalized Graphene
Acta Physica Polonica A, 2011
Accurate electronic band gap of pure and functionalized graphane from GW calculations
Physical Review B, 2009
Functionalization of graphene with transition metals
physica status solidi (b), 2010
Ab Initio Study of the Vibrational Signatures for the Covalent Functionalization of Graphene
The Journal of Physical Chemistry C, 2013
Chemical functionalization of graphene
Journal of Physics: Condensed Matter, 2009
Properties and applications of chemically functionalized graphene
Journal of Physics: Condensed Matter, 2013
Graphene and some of its structural analogues: full-potential density functional theory calculations
World Journal of Engineering, 2015
First-principles study of bandgap effects in graphene due to hydrogen adsorption
Journal of Physics: Condensed Matter, 2012
2016
Graphene on metals: A van der Waals density functional study
Physical Review B, 2010
A Review of Functionalized Graphene properties and its application
Structural and electronic properties of H-passivated graphene
Applied Surface Science, 2010
Tuning the gap in bilayer graphene using chemical functionalization: Density functional calculations
Physical Review B, 2008
Energy bands in graphene: Comparison between the tight-binding model and ab initio calculations
2014
Modelling of graphene functionalization
Phys. Chem. Chem. Phys., 2016,18, 6351, 2016
Electronic structure of graphene functionalized with boron and nitrogen
physica status solidi (c), 2013
Chem. Soc. Rev., 2011
Similarity in Band Gap Behavior of Modified Graphene with Different Types of Functionalization
Electronic Properties of Cycloaddition-Functionalized Graphene
The Journal of Physical Chemistry C, 2011
Energy bands in graphene: Comparison between the tight-binding model and ab initio calculations
Vladimir Nazarov, Eugene Kogan
Physical Review B, 2014
Electronic properties of extended graphene nanomaterials fromGWcalculations
Physica Status Solidi B-basic Solid State Physics, 2009
Atomic Covalent Functionalization of Graphene
Accounts of Chemical Research, 2013
Comparative van der Waals density-functional study of graphene on metal surfaces
Physical Review B, 2010
Electronic properties of hydrogenated quasi-free-standing graphene
physica status solidi (b), 2011
Ab Initio Modeling of Graphene Functionalized with Boron and Nitrogen
Acta Physica Polonica A, 2012
Chemical Functionalization of Graphene with Defects
Nano Letters, 2008
Effect of oxygen and nitrogen functionalization on the physical and electronic structure of graphene
Nano Research, 2015
EPL (Europhysics Letters), 2012
Van Der Waals Density Functionals for Graphene Layers and Graphite
Acta Physica Polonica A, 2011
Enhanced Screening in Chemically Functionalized Graphene
Physical Review Letters, 2012