Proceedings of nanoGe Fall Meeting 2021 (NFM21)
DOI: https://doi.org/10.29363/nanoge.nfm.2021.036
Publication date: 23rd September 2021
Sorting through nanoparticles and nanoplatelets with first principles calculations
Using first principles molecular dynamics and electronic structure calculations, we investigate fundamental properties of complex semiconducting nanoparticles and nanoplatelets and their relevance to the design of electronic and solar energy conversion devices. In particular, we discuss electronic properties [1] and structure-function relationships [2], including ensemble of nanoparticles [3-5].
[1] Stoichiometry of the Core Determines the Electronic Structure of Core-Shell III–V/II–VI Nanoparticles, Mariami Rusishvili, Stefan Wippermann, Dmitri Talapin and Giulia Galli, Chem. Mater., 32, 22, 9798-9804 (2020).
[2] Determining the Structure–Property Relationships of Quasi-Two-Dimensional Semiconductor Nanoplatelets, Arin Greenwood, Sergio Mazzotti, David Norris and Giulia Galli, J. Phys. Chem. C, 125, 8, 4820 (2021).
[3] Modelling Superlattices of Dipolar and Polarizable Semiconducting Nanoparticles, Sergio Mazzotti, Federico Giberti and Giulia Galli, Nano Letters 19(6), 3912-3917 (2019).
[4] Surface Chemistry and Buried Interfaces in All-Inorganic Nanocrystalline Solids, Emilio Scalise, Vishwas Srivastava, Eric M. Janke, Dmitri Talapin, Giulia Galli, and Stefan Wipperman, Nature Nanotechnology, 13, 841-848 (2018).
[5] Optical Absorbance Enhancement in PbS QD/Cinnamate Ligand Complexes, Daniel Kroupa, Márton Vörös, Nicholas Brawand, Noah Bronstein, Brett McNichols, Chloe Castaneda, Arthur Nozik, Alan Sellinger, Giulia Galli and Matthew Beard, J. Phys. Chem. Lett., 9(12), 3425-3433 (2018).
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