Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Hou-Yong Yang"'
Publikováno v:
Journal of Molecular Modeling. 27
In this paper, the reaction process of N2 convert to NH3 catalyzed by Ag (111) surface was obtained through the construction of Ag (111) surface and computational simulation. The charge transfer in the reaction process and the change of N≡N bond le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ab7475b34acf6f14526ea84be8289ab
https://doi.org/10.1007/s00894-020-04628-6
https://doi.org/10.1007/s00894-020-04628-6
Publikováno v:
Modern Physics Letters B. 35:2150143
In this paper, the first-principles calculation methods are used to obtain the generalized stacking fault (GSF) energy of Al and Al alloy surface structures. At the same time, after obtaining the atomic pair potential, GSF energy is calculated by the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7de53a641fe1aa588db9c6b006839826
https://doi.org/10.1142/s0217984921501438
https://doi.org/10.1142/s0217984921501438