In this Letter, the authors invéstigate the interaction of various atoms/ions with a graphene sheet and two parallel graphene sheets using the continuous approximation and the 6–12 Lennard-Jones potential. The authors assume that the carbon atoms are smeared across the surface of the graphene sheet so that the total interaction between the single atom/ion and the graphene sheet can be approximated by a surface integration over the graphene sheet. They determine the equilibrium position for the atom/ion on the surface of the graphene sheet and the minimum intermolecular spacing between two graphene sheets. This minimum spacing is by symmetry twice the value for the equilibrium positions for a single graphene sheet and is such that the atom/i...
This dissertation research is focused on first principles studies of graphene and single organic mol...
We present a theoretical study of the localized aspects of the alkali-metal atoms (Li, Na, K) intera...
Graphane has emerged as a two-dimensional hydrocarbon with interesting physical properties and poten...
Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface ba...
The interfacial behavior of graphene is involved in a number of technological processes and applicat...
In this paper, we use a continuum approach together with the Lennard-Jones potential to determine th...
In this paper, we construct a continuum model for graphene oxide based upon the Lerf-Klinowski struc...
Graphene is the ultimately thin membrane composed of carbon atoms, for which future possibilities va...
A thorough search of the distribution pattern of Na, K, and Ca atoms on graphene surface, carried ou...
In this article, we investigate the storage of lithium ions between two parallel graphene sheets usi...
The thermodynamic preference of a foreign atom for adsorption on versus intercalation into a graphit...
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling ...
Surface diffusion has been hypothesized as the fast mode of an unusual fast-slow, two-mode transport...
We evaluate the stopping and image forces on a charged particle moving parallel to a single sheet of...
© 2018 American Physical Society. We present a formalism based on first principles of quantum electr...
This dissertation research is focused on first principles studies of graphene and single organic mol...
We present a theoretical study of the localized aspects of the alkali-metal atoms (Li, Na, K) intera...
Graphane has emerged as a two-dimensional hydrocarbon with interesting physical properties and poten...
Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface ba...
The interfacial behavior of graphene is involved in a number of technological processes and applicat...
In this paper, we use a continuum approach together with the Lennard-Jones potential to determine th...
In this paper, we construct a continuum model for graphene oxide based upon the Lerf-Klinowski struc...
Graphene is the ultimately thin membrane composed of carbon atoms, for which future possibilities va...
A thorough search of the distribution pattern of Na, K, and Ca atoms on graphene surface, carried ou...
In this article, we investigate the storage of lithium ions between two parallel graphene sheets usi...
The thermodynamic preference of a foreign atom for adsorption on versus intercalation into a graphit...
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling ...
Surface diffusion has been hypothesized as the fast mode of an unusual fast-slow, two-mode transport...
We evaluate the stopping and image forces on a charged particle moving parallel to a single sheet of...
© 2018 American Physical Society. We present a formalism based on first principles of quantum electr...
This dissertation research is focused on first principles studies of graphene and single organic mol...
We present a theoretical study of the localized aspects of the alkali-metal atoms (Li, Na, K) intera...
Graphane has emerged as a two-dimensional hydrocarbon with interesting physical properties and poten...