Band Structure Engineering and Optical Properties of Pristine and Doped Monoclinic Zirconia ( m -ZrO 2 ): Density Functional Theory Theoretical Prospective.

Autor: Khattab ER; Department of Chemistry, Faculty of Science, Ain-Shams University, Cairo 11566, Egypt., Abd El Rehim SS; Department of Chemistry, Faculty of Science, Ain-Shams University, Cairo 11566, Egypt., Hassan WMI; Department of Chemistry, Faculty of Science, Cairo University, Giza 12613, Egypt., El-Shazly TS; Department of Chemistry, Faculty of Science, Ain-Shams University, Cairo 11566, Egypt.

Publikováno v: ACS omega [ACS Omega] 2021 Oct 27; Vol. 6 (44), pp. 30061-30068. Date of Electronic Publication: 2021 Oct 27 (Print Publication: 2021).