Kwon Group, Physics, Kyung Hee University

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Structural properties of phosphorene oxides

Due to the existence of a lone pair of electrons on each P atom, phosphorene can be easily oxidized. At first, we have investigated the structural stability of POx with 0<x<1. For every given 0<x<1 of POx, diverse configurations are considered and optimized to find its equilibrium structure to know whether such a phosphorene oxide can be formed or not.

lab/research/phosox-01.txt · Last modified: 2014/12/17 08:49 by jejune