167 citations · 1.7k across the 63 of their papers we have counts for
63 papers
Elastic properties and mechanical stability of bilayer graphene: Molecular dynamics simulations
Carlos P. Herrero, Rafael Ramirez
Graphene has become in last decades a paradigmatic example of two-dimensional and so-called van-der-Waals layered materials, showing large anisotropy in their physical properties.…
Cubic silicon carbide under tensile pressure: Spinodal instability
Carlos P. Herrero, Rafael Ramirez, Gabriela Herrero-Saboya
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here…
Quantum effects in two-dimensional silicon carbide
Carlos P. Herrero, Rafael Ramirez
Two-dimensional (2D) silicon carbide is an emergent direct band-gap semiconductor, recently synthesized, with potential applications in electronic devices and optoelectronics. Here…
Hydrogen dynamics on defective monolayer graphene
Carlos P. Herrero, Jose A. Verges, Rafael Ramirez
The hydrogen dynamics on a graphene sheet is studied in the presence of carbon vacancies. We analyze the motion of atomic H by means of molecular dynamics (MD) simulations, using a…
Quantum effects in structural and elastic properties of graphite: Path-integral simulations
Carlos P. Herrero, Rafael Ramirez
Graphite, as a well-known carbon-based solid, is a paradigmatic example of the so-called van der Waals layered materials, which display a large anisotropy in their physical propert…
Isotopic effects in chair graphane
Carlos P. Herrero, Rafael Ramirez
Graphane is a layered material consisting of a sheet of hydrogenated graphene, with a C:H ratio of 1:1. We study isotopic effects in the properties of chair graphane, where H atoms…