A new family of carbon crystals in which graphitic strips are interconnected to form tetrahedral bonds are proposed. Four zigzag-edged strips can be connected at a junction with a bonding configuration similar to that of cubic diamond. On the other hand, three armchair-edged graphitic strips can be connected at a junction with a bonding configuration similar to that of hexagonal diamond. The electronic structures and the mechanical stabilities of these structures are investigated using the ab initio pseudopotential method with the plane-wave basis set.close4
In this study, we present a theoretical investigation of structural, electronic, and mechanical prop...
Abstract. Elastic, electronic and vibrational properties of seven models of nanoporous carbon are re...
The general objective of the research project is to study the electronic properties of graphene nan...
A family of crystal structures of carbon composed of alternating sp2 and sp3 bonds is investigated. ...
After discussion of basic concepts of the covalent chemical bond with applications to carbon, the ch...
Graphite carbon nitride (g-C3N4) is a new class of N-doped material that exists in 2D and 3D structu...
In this work we propose a few novel energetically and dynamically stable all- carbon-based architect...
In this article, we present the electronic properties of various carbon honeycombs (C-honeycombs) wi...
Tesis (Doctorado en Nanociencias y Nanotecnología)"In this thesis we review and discuss, from a theo...
Ab initio calculations, based on the planewave pseudopotential method and the density functional the...
We have reported, from ab initio calculations, on the changes in the electronic and structural prope...
Grain boundary triple junctions are a key structural element in polycrystalline materials. They are ...
peer reviewedMolecular dynamics simulations show that graphite will transform into a superhard phase...
We performed a first-principles investigation on the structural and electronic properties of group I...
In the literature, a number of syntheses of carbon materials under extremecondition exhibit the pres...
In this study, we present a theoretical investigation of structural, electronic, and mechanical prop...
Abstract. Elastic, electronic and vibrational properties of seven models of nanoporous carbon are re...
The general objective of the research project is to study the electronic properties of graphene nan...
A family of crystal structures of carbon composed of alternating sp2 and sp3 bonds is investigated. ...
After discussion of basic concepts of the covalent chemical bond with applications to carbon, the ch...
Graphite carbon nitride (g-C3N4) is a new class of N-doped material that exists in 2D and 3D structu...
In this work we propose a few novel energetically and dynamically stable all- carbon-based architect...
In this article, we present the electronic properties of various carbon honeycombs (C-honeycombs) wi...
Tesis (Doctorado en Nanociencias y Nanotecnología)"In this thesis we review and discuss, from a theo...
Ab initio calculations, based on the planewave pseudopotential method and the density functional the...
We have reported, from ab initio calculations, on the changes in the electronic and structural prope...
Grain boundary triple junctions are a key structural element in polycrystalline materials. They are ...
peer reviewedMolecular dynamics simulations show that graphite will transform into a superhard phase...
We performed a first-principles investigation on the structural and electronic properties of group I...
In the literature, a number of syntheses of carbon materials under extremecondition exhibit the pres...
In this study, we present a theoretical investigation of structural, electronic, and mechanical prop...
Abstract. Elastic, electronic and vibrational properties of seven models of nanoporous carbon are re...
The general objective of the research project is to study the electronic properties of graphene nan...