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Title: Charge separation at nanoscale interfaces: Energy-level alignment including two-quasiparticle interactions

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4898155· OSTI ID:22436613
; ;  [1]
  1. Department of Physics, Colorado School of Mines, Golden, Colorado 80401 (United States)

The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

OSTI ID:
22436613
Journal Information:
Journal of Chemical Physics, Vol. 141, Issue 15; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English