Royal Society of Chemistry, Physical Chemistry Chemical Physics, 5(21), p. 2499-2506, 2019
DOI: 10.1039/c8cp07161f
Full text: Unavailable
Our theoretical investigations have unraveled peculiar bonding characters in the current identified superconducting phases for B2O at high pressure, especially the evolution of chemical bonds and electronic states associated with the B12 icosahedral unit in the orthorhombic phase and the pseudo-layered trigonal phase.