April 22 - 26, 2024
Seattle, Washington
May 7 - 9, 2024 (Virtual)
Symposium Supporters
2024 MRS Spring Meeting
EL02.06.03

The Surface Chemistry of Colloidal Semiconductor Quantum Dots

When and Where

Apr 25, 2024
9:15am - 9:45am
Room 347, Level 3, Summit

Presenter(s)

Co-Author(s)

Ivan Infante1

BCMaterials - Basque Center of Materials1

Abstract

Ivan Infante1

BCMaterials - Basque Center of Materials1
Despite significant progress in recent years in understanding the chemical reactions occurring on the surfaces of II-VI, III-V, and lead halide perovskite quantum dots (QDs), there are still fundamental questions that remain unanswered regarding the nature of QD surfaces, QD-ligand interactions, and the formation of trap states. Addressing these aspects is crucial for enhancing the optoelectronic efficiency of QDs.<br/><br/>In this study, we present a pioneering multiscale modeling approach that combines Density Functional Theory and Molecular Dynamics simulations. Our approach encompasses QDs ranging from small to real-sized QDs passivated with oleate ligands and immersed in organic solvents. Through this methodology, we gain invaluable insights into the surface characteristics and the binding energies of ligands under different experimental conditions. This methodology not only provides a deeper understanding of the intricate behavior of colloidal semiconductor nanocrystals but also paves the way for future advancements in their diverse applications.

Keywords

III-V | nanostructure | perovskites

Symposium Organizers

Yunping Huang, CU Boulder
Hao Nguyen, University of Washington
Nayon Park, University of Washington
Claudia Pereyra, University of Pennsylvania

Session Chairs

Hao Nguyen
Nayon Park

In this Session