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yuzhejun1984

木虫 (小有名气)

[交流] XPS中N的binding energy

请问各位,氰基(-CN)的N的binding energy在什么位置?N2等离子体处理物体表面产生哪些基团?有文献的话最好,麻烦推荐下,先谢谢了。
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qiuyf-2007

木虫 (正式写手)

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yuzhejun1984(金币+2,VIP+0):你给出的结果跟我看到的一些相关文献有出入(我看到的N在398.4eV),还有你推荐的文献找不到(你写的参考文献格式能否详细点),但还是谢谢你。 9-15 11:03
氰基(-CN)的N的binding energy 大概在400.8 eV 左右。N2等离子体处理物体表面产生基团有(N)i or (NO)O and (NO)i or (NO2)O, respectively. (N)i is an interstitial N in the middle of the interstitial space; (NO)O is NO sits at the substitutial site for the lattice O; at the same, (NO)i and (NO2)O are the interstitial NO and NO2 sits at the substitutial site for the lattice O.


文献: R. Asahi, T. Morikawa Chem. Phys. 2007, 339, 57.
2楼2009-09-14 22:06:16
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qiuyf-2007

木虫 (正式写手)

文献没错
R. Asahi and T. Morikawa, Chem. Phys. 339 (2007), pp. 57–63
3楼2009-09-16 22:09:59
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qiuyf-2007

木虫 (正式写手)

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yuzhejun1984(金币+5,VIP+0):谢谢 9-20 12:39
Nitrogen complex species and its chemical nature in TiO2 for visible-light sensitized photocatalysis
Ryoji Asahi, a,  and Takeshi Morikawaa

aToyota Central R&D Laboratories Inc., Nagakute, Aichi 480-1192, Japan


Received 8 May 2007;  accepted 23 July 2007.  Available online 8 August 2007.

Abstract
A photocatalyst with high reactivity under visible-light has been desired to utilize solar irradiation or interior lighting efficiently. Nitrogen-doped TiO2 revealed significant improvement in optical absorption and photocatalytic activity over TiO2 under visible light. We have performed the first-principles calculations to study the detailed N complex species introduced in TiO2. The results include stable geometries, densities of states, formation energies, and core levels. The present systematic studies account for the long-term controversial issue on N-doped TiO2, in particular, regarding the detailed assignment of N 1s binding energies observed in the XPS measurement. The detailed analyses of the formation energies show that introducing the N species more in a controlled way via process conditions is crucial to achieve the optimized photocatalytic performance.

Keywords: Photocatalysis; Titanium dioxide; Firt principles calculation; Nitrogen; Doping; X-ray photoemission spectroscopy
4楼2009-09-16 22:14:50
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qiuyf-2007

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yuzhejun1984(金币+3,VIP+0): 9-20 12:39
标题: Nitrogen complex species and its chemical nature in TiO2 for visible-light sensitized photocatalysis
作者: Asahi R, Morikawa T
来源出版物: CHEMICAL PHYSICS   卷: 339   期: 1-3   页: 57-63   出版年: OCT 15 2007
被引频次: 16
5楼2009-09-16 22:15:21
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