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

Johannes Margraf, Andres Ruland, Vito Sgobba, Dirk Guldi, Tim Clark

Research output: Contribution to journalArticlepeer-review

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).
Original languageEnglish
Pages (from-to)15450-15456
JournalLangmuir
Volume29
Issue number49
DOIs
Publication statusPublished - 22 Nov 2013

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