Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Dobrina Borisova"'
Publikováno v:
International Journal of Quantum Chemistry. 113:792-796
Recent reliable experiments have reported magnetism in defective graphene while the perfect one is nonmagnetic. In this work, we study the role of the vacancy concentration and spatial distribution on the orientation and magnitude of the magnetic mom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::76285095201c78ddd07da63784fe0507
https://doi.org/10.1002/qua.24078
https://doi.org/10.1002/qua.24078
Publikováno v:
International Journal of Quantum Chemistry. 113:786-791
We have used density functional theory (DFT) to study adsorption of H2S molecules onto defective graphene as a function of vacancy concentration. The calculations are performed with the Quantum Espresso code, a plane-wave realization of the DFT with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40ec6ef6fc7f2865d2860c032d767b57
https://doi.org/10.1002/qua.24077
https://doi.org/10.1002/qua.24077