Theoretical and experimental insights into the surface chemistry of semiconductor quantum dots

Authors

Johannes T. Margraf, University of Erlangen-Nuremberg
Andres Ruland Palaia, University of Erlangen-NurembergFollow
Vito Sgobba, University of Erlangen-Nuremberg
Dirk M. Guldi, University of Erlangen-Nuremberg
Timothy Clark, University of Erlangen-NurembergFollow

RIS ID

105455

Publication Details

Margraf, J. T., Ruland , A., Sgobba, V., Guldi, D. M. & Clark, T. (2013). Theoretical and experimental insights into the surface chemistry of semiconductor quantum dots. Langmuir: the ACS journal of surfaces and colloids, 29 (49), 15450-15456.

Abstract

We present a series of non-stoichiometric cadmium sulfide quantum-dot (QD) models. Using density functional theory (DFT) and semi-empirical molecular orbital (MO) calculations, we explore the ligand binding and exchange chemistry of these models. Their surface morphology allows for these processes to be rationalized on the atomic scale. This is corroborated by ultraviolet-visible (UV-vis), infrared (IR), and inductively coupled plasma-optical emission spectroscopy (ICP-OES).