Simulations of Nanocrystal Doping
Computer simulations are used to understand and improve the doping of semiconductor nanocrystals by studying dopant and surfactant interactions during growth.
This grant is no longer accepting proposals
NRC Research Associateship Programs has archived this opportunity.
Funder: NRC Research Associateship Programs
Due Dates: May 1, 2025 (NRL opportunity)
Funding Amounts: $99,200 stipend plus $3,000 travel allowance; typical tenure 2-3 years
Summary: Postdoctoral fellowship supporting computer simulations to study and improve doping processes in semiconductor nanocrystals at the Naval Research Laboratory.
Key Information: Open to U.S. citizens and permanent residents; relocation and health insurance benefits included; requires contacting Research Adviser prior to applying.
Description
This fellowship opportunity at the Naval Research Laboratory (NRL) focuses on the use of computer simulations to understand and improve the doping of semiconductor nanocrystals (NCs). Semiconductor NCs exhibit unique properties distinct from bulk semiconductors and can be tailored by doping with specific impurities. However, doping NCs experimentally is more challenging than doping bulk materials.
The research involves simulating key processes controlling doping during colloidal growth of NCs, including:
- Attachment of surfactant molecules to the NC surface
- Reactions of dopant ions with surfactants
- Incorporation of dopants into the growing nanocrystal
Simulation techniques span from first principles density functional theory (DFT) calculations to interatomic potentials and hybrid methods coupling these approaches. The work also models individual attachment, detachment, and reaction events, as well as solvent effects on these reactions.
Outcomes include explaining experimental observations such as the influence of dopant precursors and surfactant choice, and predicting effective synthetic routes for new doped nanocrystals.
Keywords
Colloidal nanocrystal growth, computer simulations, density functional theory, nanocrystal doping, QM/MM, solvation effects
