Use and misuse of the Kubelka-Munk function to obtain the band gap energy from diffuse reflectance measurements
Use and misuse of the Kubelka-Munk function to obtain the band gap energy from diffuse reflectance measurements
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DOI：
10.1016/j.ssc.2021.114573
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发表时间：
2021-10-25
影响因子：
2.1
通讯作者：
Tavares, Carlos Jose
中科院分区：
文献类型：
--
作者：
Landi, Salmon, Jr.;Segundo, Iran Rocha;Tavares, Carlos Jose
光学带隙能量（E-g）的确定对于优化半导体材料在光照下的电子/空穴对的产生是重要的。为此，Kubelka和Munk（K-M）提出的经典理论已被大量用于非晶和多晶材料的研究。本文详细介绍了如何利用K-M函数从漫反射光谱（DRS）的测量结果中，对不同厚度压制的TiO_2半导体粉末的E-g进行测定。对于厚度为1-4 mm的样品，获得的E-g值为3.12-3.14 eV。通过这项工作，它设想了一个澄清的过程中确定的E-g从K-M理论和DRS数据，因为一些缺点，和误解已被确定在最近的文献。特别是，广泛使用的直接从K-M函数确定材料的E-g的做法被发现是不够的。
The determination of the optical band gap energy (E-g) is important for optimization of the generation of electron/hole pairs in semiconductor materials under illumination. For this purpose, the classical theory proposed by Kubelka and Munk (K-M) has been largely employed for the study of amorphous and polycrystalline materials. In this paper, the authors demonstrate, step by step, how to use the K-M function and apply it thoroughly to the determination of the E-g of TiO2 semiconductor powder (pressed at different thicknesses) from diffuse reflectance spectroscopy (DRS) measurements. For the sample thicknesses 1-4 mm, E-g values of 3.12-3.14 eV were obtained. With this work it is envisaged a clarification to the procedure of determination of the E-g from the K-M theory and DRS data, since some drawbacks, and misconceptions have been identified in the recent literature. In particular, the widely used practice of determining the E-g of a material directly from the K-M function is found to be inadequate.