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pro vyhledávání: '"Kyle R. Stoltz"'
Autor:
Elena Echeverria, Amrit Kaphle, Mario F. Borunda, Andrew J. Yost, Aaron J. Austin, Parameswar Harikumar, David N. McIlroy, Kyle R. Stoltz
Publikováno v:
Computational Materials Science. 198:110700
Cobalt oxide groupings in ZnO surface structures were studied using density functional theory within the Hubbard-like U (DFT+U) formalism to calculate the total energy of several configurations of this system. We find the U parameter by fitting the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b5587001d5be19221feac303f6259ea
https://doi.org/10.1016/j.commatsci.2021.110700
https://doi.org/10.1016/j.commatsci.2021.110700
