Structural and Electronic Properties of the Magnetic and Nonmagnetic X 0.125 Mg 0.875 B 2 (X = Nb, Ni, Fe) Materials: A DFT/HSE06 Approach to Investigate Superconductor Behavior.

Autor: Rosa GB; State University of Ponta Grossa, Ponta Grossa, Paraná 84030-900, Brazil., Lacerda LHDS; Federal University of Santa Catarina, Florianópolis, Santa Catarina 88040-900, Brazil., de Lazaro SR; State University of Ponta Grossa, Ponta Grossa, Paraná 84030-900, Brazil.

Publikováno v: ACS omega [ACS Omega] 2024 Aug 14; Vol. 9 (34), pp. 36802-36811. Date of Electronic Publication: 2024 Aug 14 (Print Publication: 2024).

Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag 3 PO 4 : an in-depth theoretical investigation.

Autor: Lipsky F; State University of Campinas Campinas São Paulo Brazil smiguel@unicamp.br., Lacerda LHDS; State University of Campinas Campinas São Paulo Brazil smiguel@unicamp.br., de Lazaro SR; State University of Ponta Grossa Ponta Grossa Paraná Brazil., Longo E; CDMF-UFSCAR, Federal University of São Carlos São Carlos São Paulo Brazil., Andrés J; University Jaume I Castellón Spain., San-Miguel MA; State University of Campinas Campinas São Paulo Brazil smiguel@unicamp.br.

Publikováno v: RSC advances [RSC Adv] 2020 Aug 18; Vol. 10 (51), pp. 30640-30649. Date of Electronic Publication: 2020 Aug 18 (Print Publication: 2020).