価電子帯の上端を形成する窒素の2p軌道が酸素の2p軌道よりも浅くなる(

価電子帯の上端を形成する窒素の2p軌道が酸素の2p軌道よりも浅くなる(Fig. 1-1-1)。このため、酸化物に比べて酸窒化物は窒素の2p軌道の分だけバンドギャップが小さくなり、また酸素と窒素の組成比によってバンドギャップを変化させることも可能である。例としてTa5-xZrxN5-xOxをあげると Fig. 1-1-2のように窒素を含んだ量が多い方が、バンドギャップが小さくなり長波長側に吸収をもつことがわかる[1.2]。このバンドギャップの大きさの可変性のため、目的とする色を呈する非毒性の顔料や可視光応答型の光触媒などへの応用が期待されている。

結果 (英語) 1:

Shallower than the 2 p orbital of oxygen 2 p orbital of the nitrogen to form the top of the valence band becomes (Fig. 1-1-1). Because of this, compared to oxide oxynitrides can also varying bandgap by composition ratio of oxygen and nitrogen n 2 p orbital only smaller band gap, be possible. Smaller band gap is a lot of Ta5-xZrxN5-xOx to give you as an example shown in Fig. 1-1-2 containing nitrogen [1.2] reveals that with the absorption wavelength. Application of variability for the size of the band gap, intended to colour with a non-toxic pigments and visible light responsive Photocatalyst is expected.

結果 (英語) 2:

2p orbital of nitrogen that forms the top of the valence band is shallower than the 2p orbital of oxygen (Fig. 1-1-1). Therefore, oxynitride compared to oxides band gap decreases by the amount of the 2p orbital of nitrogen and it is also possible to vary the band gap by the composition ratio of oxygen and nitrogen. To give Ta5-xZrxN5-xOx As an example Fig. Those amounts which contains nitrogen as 1-1-2 is large, it can be seen that the band gap having an absorption in the small becomes long wavelength side [1.2]. Because of the variability of the magnitude of the band gap, applications such as non-toxic pigments or visible-light-responsive photocatalyst exhibiting a color of interest is expected.

結果 (英語) 3:

Nitrogen form and the upper end of the valence band 2 p orbital of oxygen from the orbit of shallow P Fig 1 1 1 Therefore, compared with the oxide, oxynitride, only 2 minutes p orbitals of the band gap becomes smaller, and it is possible to change the ratio of oxygen and nitrogen in the band gap. At Fig as an example and Ta 5 -- 5 as shown in xZrxN xOx 1-1 / 2 containing large amount of nitrogen, and the band gap decreases to a longer wavelength side to prove himself with 1.2 absorptionBecause of the variability of the band gap, the size of the visible light response type pigment and non-toxic colors for the purpose of presenting to the photocatalyst is expected to be applied.