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在不同的氧气与氮气流量比条件下,利用射频磁控溅射技术在载玻片衬底上成功沉积了TiO2-xNx薄膜。采用亚甲基蓝染料为光降解污染物,考察了薄膜的光催化活性;检测了薄膜的XRD谱和透射光谱;并利用基于密度泛函理论的第一性原理计算了N掺杂锐钛矿相TiO2的能带结构及其在费米能级附近的电子态密度。结果表明,在氧气流量50sccm、氮气流量0.5sccm条件下沉积的TiO2-xNx薄膜的光催化活性最高;与纯TiO2样品相比,N掺杂TiO2样品的晶体结构没有发生改变,吸收边红移;N掺杂使TiO2的禁带宽度减小,电子态密度向低能量方向移动,从而使其光响应范围扩展,光催化活性增强。
TiO2-xNx thin films were successfully deposited on glass substrates by RF magnetron sputtering at different oxygen to nitrogen flow rates. The methylene blue dye was used as photodegradation pollutant to investigate the photocatalytic activity of the film. The XRD and transmission spectra of the film were measured. The first-principles calculations based on density functional theory Band structure and its electron density near the Fermi level. The results show that the photocatalytic activity of TiO2-xNx thin films deposited at the oxygen flow rate of 50sccm and the nitrogen flow rate of 0.5sccm is the highest. Compared with the pure TiO2 samples, the crystal structure of the N-doped TiO2 samples does not change and the absorption edge shifts red. N doping reduces the bandgap of TiO2, and the electron density decreases to the low energy direction, so that the photoresponse range is extended and the photocatalytic activity is enhanced.