Theoretical and Experimental Insights into the Surface Chemistry of Semiconductor Quantum Dots

详细信息    查看全文

• 作者：Johannes T. Margraf ; Andr茅s Ruland ; Vito Sgobba ; Dirk M. Guldi ; Timothy Clark
• 刊名：Langmuir
• 出版年：2013
• 出版时间：December 10, 2013
• 年：2013
• 卷：29
• 期：49
• 页码：15450-15456
• 全文大小：415K
• 年卷期：v.29,no.49(December 10, 2013)
• ISSN：1520-5827

文摘

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鈥搗isible (UV鈥搗is), infrared (IR), and inductively coupled plasma鈥搊ptical emission spectroscopy (ICP鈥揙ES).