Ab-initio study of ReCN in the bulk and as a new two dimensional material

Abstract First principles total energy calculations have been applied to describe the ReCN bulk structure and the formation of ReCN monolayers and bilayers. Results demonstrate a strong structural rearrangement in the monolayer due to a reduced dimension effect: an increase in the lattice parameter,...

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Autores principales: J. Guerrero-Sánchez, Noboru Takeuchi, A. Reyes-Serrato
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/0d59be349d3f44349067ea3707f81c04
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