Assessing the Band Structure of CuInS2 Nanocrystals and Their Bonding with the Capping Ligand

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• 作者：Amy Tapley ; Lijia Liu ; Xiaoyu Cui ; Lucia Zuin ; David A. Love ; Jigang Zhou ; Tsun-Kong Sham ; Zhifeng Ding
• 刊名：Journal of Physical Chemistry C
• 出版年：2015
• 出版时间：September 10, 2015
• 年：2015
• 卷：119
• 期：36
• 页码：20967-20974
• 全文大小：474K
• ISSN：1932-7455

文摘

CuInS₂ (CIS) nanocrystals (NCs) prepared optimally via a one-pot solvothermal method exhibit a high absorption coefficient and an ideal band gap for solar cell light-absorbing materials. We find that the initial Cu/In ratio in the synthesis determines the final composition of CIS, and this further dictates the photoelectrochemical performance of the CIS NC films. X-ray absorption near-edge spectroscopy excludes the presence of a secondary phase and suggests a difference in surface band bending and in ligand鈥揅IS interaction. These findings will aid in optimizing the design of CIS NC films to achieve the highest possible photovoltaic efficiency.