K2O2: the most stable oxide of K

Nandy, Ashis Kumar ; Mahadevan, Priya ; Sarma, D. D. (2011) K2O2: the most stable oxide of K Physical Review B: Condensed Matter and Materials Physics, 84 (3). Article ID 035116. ISSN 2469-9950

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Official URL: http://journals.aps.org/prb/abstract/10.1103/PhysR...

Related URL: http://dx.doi.org/10.1103/PhysRevB.84.035116

Abstract

We have analyzed the stability of various oxides of K and find that K2O2 is the most stable one. The additional stability is traced to the presence of oxygen dimers in K2O2 which interact to form molecular orbitals. Other oxides such as KO2 and KO3 which also have dimers/trimers of oxygens are found to be less stable. This is traced to the shorter O–O bonds that one finds in them which gives rise to a significant coulomb repulsion between the electrons on the oxygen atoms making up the dimer/trimer, making them less stable.

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