Band Gap Tuning in Poly(triazine imide), a Nonmetallic Photocatalyst

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• 作者：Eamon J. McDermott ; Eva Wirnhier ; Wolfgang Schnick ; Kulpreet Singh Virdi ; Christina Scheu ; Yaron Kauffmann ; Wayne D. Kaplan ; Ernst Z. Kurmaev ; Alexander Moewes
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：May 2, 2013
• 年：2013
• 卷：117
• 期：17
• 页码：8806-8812
• 全文大小：470K
• 年卷期：v.117,no.17(May 2, 2013)
• ISSN：1932-7455

文摘

We have used a combination of X-ray and electron energy-loss spectroscopies along with DFT calculations to investigate the electronic structure of PTI/LiCl, a graphitic carbon nitride-type material with LiCl intercalation shown to photocatalyze the water-splitting reaction. The material is shown to have a band gap that is tunable with LiCl loading, with a minimum gap of 2.2 eV when fully loaded. This suggests that PTI/LiCl may be further optimized through control of their LiCl loading and shows that graphitic carbon nitride-type materials can be chemically tuned to improve their photocatalytic activity.