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Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds
(2019)
The development of sophisticated interatomic potentials for classical molecular dynamics and Monte Carlo simulations has several advantages, but also some drawbacks. One of them is the increase in their complexity, which ...
Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene
(Amer Chemical Soc, 2012-06-14)
Graphene is considered one of the most promising materials for future electronics. However, in its pristine form, graphene is a gapless material, which imposes limitations to its use in some electronic applications. To ...
Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene
(Amer Chemical Soc, 2012-06-14)
Graphene is considered one of the most promising materials for future electronics. However, in its pristine form, graphene is a gapless material, which imposes limitations to its use in some electronic applications. To ...
Transformações alotrópicas de carbono induzidas por irradiação com feixe de elétrons
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Química - PPGQCâmpus São Carlos, 2021-08-27)
In the last years, the carbon has attracted scientific and technological interest due to its different allotropic forms, as graphite, graphene, fullerene, and carbon nanotubes, which present unique and promising properties. ...
Isoglitter
(2012)
Morphology and surface structure of nanocarbon allotropes: a comparative study
(Taylor & Francis, 2016-05)
Different carbon allotropes, including vulcan carbon, multiwall carbon nanotubes, graphene, and nanodiamonds, were processed by chemical purification and treated in a mixture of H2SO4–HNO3. The materials were characterized ...
Hinged and chiral polydiacetylene carbon crystals
(Elsevier Science BvAmsterdamHolanda, 1997)
Note on the free energy of transfer of fullerene C60 simulated by using classical potentials
(2009)
Diverse atomistic parameters of C60 have been developed and utilized to simulate fullerene solutions in biological environments. However, no thermodynamic assessment and validation of these parameters have been so far ...
New Matter Properties and Applications based on Hybrid Graphene-based Metamaterials
(Bentham Science, 2020-05)
Graphene as an organic material has gained special attention due to their electronic and conductive properties. Moreover, its highly conjugated chemical structures and relative easy modification have allowed varied design ...