Theory: Bond-Electron-Energy Correlation

Electron binding energy shift directly features the change of bond energy with coordination environments and chemical conditions, from which one can evaluate the local and quantitative information on the local bond length, bond energy, core charge entrapment and valence electron polarization. Bonds and electrons associated with undercoordinated adams, point defects, skins, and nanostructures follows the BOLS-NEP notion but bonds associated with the hetero-coordinated and the tetrahedrally-coordinated impurities and interfaces may subject to bond nature alteration and the local electrons may subject to entrapment or polarization.