Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Daniel F. Souza"'
Autor:
Dominike A. P. de Deus, Daniel F. Souza, Andréia L. da Rosa, Renato B. Pontes, Th. Frauenheim
Publikováno v:
The journal of physical chemistry letters.
The interaction of small molecules with low-dimensional structures plays a major role in many important practical processes such as metal hydride formation, energy storage systems, and catalysis. In this work, we carried out first-principles density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b12a109ded5dbda50eb40ae041597011
https://pubmed.ncbi.nlm.nih.gov/36580022
https://pubmed.ncbi.nlm.nih.gov/36580022
Autor:
Adalberto Fazzio, Andreia Luisa da Rosa, Pedro Venezuela, Daniel F. Souza, José Eduardo Padilha, Renato B. Pontes
Publikováno v:
Physical Review B. 100
We carried out first-principles calculations based on density functional theory aiming to understand the structural evolution along the stretching process and the impact of native defects in metallic subnanometer MoS nanowires (NWs). By pulling the p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e76d8bf773afb17b59724bc68dbf456
https://doi.org/10.1103/physrevb.100.235416
https://doi.org/10.1103/physrevb.100.235416