Barochemistry to Multifunctional High Energy Density Solid: Extended Phases of N2, CO, and N2+CO at High Pressures

Abstract

Many simple diatomic and triatomic molecules such as N2 and CO2 have the potential to form extended polymeric solids under extreme conditions, which can store a large sum of chemical energy in its three-dimensional network structures made of strong covalent bonds. Diatomic nitrogen is particularly of interest because of the uniquely large energy difference between that of the single bond (160 kJ/mol) and that of the triple bond (954 kJ/mol). As such, the transformation of a singly bonded polymeric nitrogen back to triply-bonded diatomic nitrogen molecules can release nearly 5 times the energy of TNT without any negative environmental impact. In this paper, we will describe our recent research efforts to synthesize novel extended phases of isoelectronic systems of N2 and CO, as well as those of N2+CO mixtures to lower the transition pressures and enhance the stability of recovered products at ambient condition.