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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 32(20), p. 20970-20980

DOI: 10.1039/c8cp03481h

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A quantum-mechanical investigation of oxygen vacancies and copper doping in the orthorhombic CaSnO3 perovskite

Journal article published in 2018 by Jefferson Maul ORCID, Iêda Maria Garcia dos Santos ORCID, Julio Ricardo Sambrano, Silvia Casassa ORCID, Alessandro Erba ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

In this study we explore the implications of oxygen vacancy formation and of copper doping in the orthorhombic CaSnO3 perovskite, by means of density functional theory, focusing on energetic and electronic properties.