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Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models
- Source :
- The Journal of Physical Chemistry C. 123:13295-13303
- Publication Year :
- 2019
- Publisher :
- American Chemical Society (ACS), 2019.
-
Abstract
- Excited electron transfer across semiconductor–molecule heterogeneous interfaces is central to various future electronic and optoelectronic devices. At the same time, first-principles modeling of s...
- Subjects :
- Surface (mathematics)
Materials science
business.industry
Dynamics (mechanics)
Molecular physics
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Vibronic coupling
General Energy
Semiconductor
Self-energy
Electron injection
Excited state
Molecule
Physical and Theoretical Chemistry
business
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 123
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........5c25eb8eaa892fe26075c8b997996be8