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lab:research:phosox-01 [2014/11/09 01:39] 127.0.0.1 external edit |
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===== Structural properties of phosphorene oxides ===== | ===== Structural properties of phosphorene oxides ===== | ||
- | Due to the existence of a lone pair of electrons on each P atom, | + | Due to the existence of a lone pair of electrons on each P atom, |
- | phosphorene can be easily oxidized. We have investigated the | + | phosphorene can be easily oxidized. At first, we have investigated |
- | structural stability of PO<sub>//x//</sub> with 0<//x//<1. | + | the structural stability of PO<sub>//x//</sub> with 0<//x//<1. |
- | + | For every given 0<//x//<1 of PO<sub>//x//</sub>, diverse configurations | |
+ | are considered and optimized to find its equilibrium structure to know | ||
+ | whether such a phosphorene oxide can be formed or not. |