Theoretical and Experimental Investigation of the Electronic Structure and Quantum Confinement of Wet-Chemistry Synthesized Ag2S Nanocrystals

详细信息    查看全文

• 作者：Shu Lin ; Yu Feng ; Xiaoming Wen ; Pengfei Zhang ; Sanghun Woo ; Santosh Shrestha ; Gavin Conibeer ; Shujuan Huang
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：January 8, 2015
• 年：2015
• 卷：119
• 期：1
• 页码：867-872
• 全文大小：407K
• ISSN：1932-7455

文摘

The electronic and excitonic confinement of monoclinic silver sulfide Ag₂S nanocrystals (NCs) has been investigated both theoretically and experimentally. Theoretically, the electronic band gaps and the excitonic ground-state energies of Ag₂S NCs at different sizes are calculated using a hybrid method of density-functional theory (DFT) and effective mass approximation (EMA). The results have shown a good agreement with measured results, including the absorbance and photoluminescence spectra of drop-casted NC thin films. The Ag₂S NCs, synthesized using wet-chemistry methods, have demonstrated a desirable size monodispersion, allowing the measurements to be sufficiently accurate. The results show that both the electronic band gap and the excitonic energy have significant blue shift only when the diameter of monodispersed NCs is reduced below 4 nm, and the excitonic Bohr radius of Ag₂S is determined as being small at around 1 nm.