Vacuum Referred Binding Energy of the Single 3d, 4d, or 5d Electron in Transition Metal and Lanthanide Impurities in Compounds

Abstract

The vacuum referred binding energy (VRBE) of the single electron in the lowest energy 3d level of Sc2+, V4+, Cr5+, the lowest 4d level of Y2+, Zr3+, Nb4+, Mo 5+ and the lowest 5d level of Ta4+, and W5+ in various compounds are determined by means of the chemical shift model. They will be compared with the VRBE in the already established lowest 3d level of Ti 3+ and the lowest 5d level of Eu2+ and Ce3+. Clear trends with changing charge of the transition metal (TM) cation and with changing principle quantum number n = 3, 4, or 5 of the nd level will be identified. This work will demonstrate that the trends correlate with the VRBE in the free ion nd TM cation level. The acquired knowledge on the VRBE of the electron in the nd TM impurity levels but also on TM based compounds with nd type of conduction band bottom provides new insight in the luminescence properties of TM activated compounds. © 2014 The Electrochemical Society.