Molle, A.; Berikaa, E.R.; Pont, F.; Bande, A.: Quantum Size Effect Affecting Environment Assisted Electron Capture in Quantum Confinements. The Journal of Chemical Physics 150 (2019), p. 224105/1-14
10.1063/1.5095999
Open Accesn Version

Abstract:
Ultrafast inter-Coulombic electron capture (ICEC) has been established as an important energy-transfer process in open paired-quantum-dot systems which can mediate between entrapment of free-moving electrons and release of trapped ones elsewhere by long-range electron-electron interaction within nanowires. Previous studies indicated ICEC enhancement through population and secondary decay of two-center resonance states, the latter known as inter-Coulombic decay (ICD). This study investigates the quantum-size effect of single- and double-electron states in an established model of a quasi-one-dimensional nanowire with two embedded confinement sites, represented by a pair of Gaussian wells. We analyze the ICEC related electron flux density as a function of confinement size and are able to clearly identify two distinct capture channels: a direct long-range electron-electron impulse and a conversion of kinetic energy to electron-electron correlation energy with consecutive ICD. The overlay of both channels makes ICEC extremely likely, while nanowires are a strong candidate for the next miniaturization step of integrated-circuit components.