光谱学与光谱分析, 2017, 37 (7): 2305, 网络出版: 2017-08-30  

(Fe, N)共掺杂TiO2红外光谱的电负性原理研究

Research on Infrared Spectra of (Fe, N) Doped TiO2 by the Electronegativity Principle
作者单位
昆明理工大学材料科学与工程学院, 云南 昆明 650093
摘要
采用电负性原理, 构建合理的红外光谱模型, 对TiO2红外光谱的振动频率与元素电负性之间的各种经验关系进行探究。 采用溶胶-凝胶法制备(Fe, N)共掺杂TiO2, 利用X-射线衍射(XRD)、 傅里叶红外光谱(FTIR)对样品的物相和红外光谱进行了表征。 XRD物相分析表明当煅烧温度为600 ℃时, TiO2样品中的无定形结构己基本转化为锐钛矿型结构。 随着煅烧温度升高, TiO2的X射线衍射峰逐渐由宽变窄, 衍射强度由弱变强。 当煅烧温度为700 ℃时, 锐钛矿型的衍射峰基本消失, 取而代之的是金红石相的衍射峰, 但TiO2的主晶相并没有发生改变。 红外光谱分析表明(Fe, N)共掺杂TiO2在650~500 cm-1区间有一个较宽的吸收峰。 电负性模拟计算了(Fe, N)共掺杂TiO2红外光谱的伸缩振动频率, 获得了Fe、 N掺杂的位置、 分子结构和键价特征: 首先计算出约化质量μ, 然后按照经典力学伸缩力常数k与频率ν之间满足的关系, 结合力常数与电负性关系、 键级的计算方法, 计算了基本单元都是氧八面体的掺杂金红石、 锐钛矿TiO2的分子振动频率。 结果表明: 通过电负性理论计算的(Fe, N)共掺杂的TiO2的红外光谱与实验测量的红外光谱的伸缩振动频率比较吻合。
Abstract
Based on the principle of electronegativity, a reasonable infrared spectrum model is built, and the relationship between the vibration frequency of TiO2 infrared spectrum and the electronegativity of element is investigated. (Fe, N) codoped TiO2 samples were prepared with the sol-gel method. The crystalline phase and IR spectra of the samples were characterized with X-ray diffraction and Fourier infrared spectroscopy (FTIR). XRD phase analysis shows that amorphous structure of TiO2 samples are mainly transformed into anatase structure when the calcination temperature is 600 ℃. As the calcination temperature is increasing, the X-ray diffraction peaks of TiO2 gradually become narrower, with greater intensity, and gradually increasing crystallinity of TiO2. When the calcination temperature is 700 ℃, the diffraction peaks of anatase disappear, only the diffraction peaks of rutile phase can be observed. infrared spectrum indicate that there exists a wider absorption peak in the range of 650~500 cm-1 for (Fe,N) Codoped TiO2. Stretching vibration frequency of (Fe, N) Codoped TiO2 infrared spectra, Fe and N doped location, molecular structure and bond valence feature are obtained by the principle of electronegativity. Firstly, the reduced mass μ is computed. Then according to the relationship between classical mechanics stretching force constant k and frequency ν, molecular vibration frequency of doped rutile or anatase TiO2 with the same oxygen octahedron structure unit via combining with the relationship between the force constant and the electrical negative, the calculation of bond order. The results show that the (Fe, N) Codoped TiO2 infrared spectrum calculated by the principle of electronegativity is in agreement with the stretching vibration frequency by the experimental measurement.

陈俊宇, 姜贵民, 滕媛, 陈东东, 严继康, 甘国友. (Fe, N)共掺杂TiO2红外光谱的电负性原理研究[J]. 光谱学与光谱分析, 2017, 37(7): 2305. CHEN Jun-yu, JIANG Gui-min, TENG Yuan, CHEN Dong-dong, YAN Ji-kang, GAN Guo-you. Research on Infrared Spectra of (Fe, N) Doped TiO2 by the Electronegativity Principle[J]. Spectroscopy and Spectral Analysis, 2017, 37(7): 2305.

关于本站 Cookie 的使用提示

中国光学期刊网使用基于 cookie 的技术来更好地为您提供各项服务,点击此处了解我们的隐私策略。 如您需继续使用本网站,请您授权我们使用本地 cookie 来保存部分信息。
全站搜索
您最值得信赖的光电行业旗舰网络服务平台!