Methodological Investigation of the Band Gap Determination of Solid Semiconductors via UV/Vis Spectroscopy

Several different evaluation methods (EM) to obtain the band gap energy (E-g) of semiconductors via UV/Vis diffuse reflectance spectroscopy (DRS) are used in literature and no clear consensus which EM to use is established. By using P25 as a model semiconductor, evaluating 32 literature sources and our own experiments, we show that the determined E-g energy is heavily influenced by the EM (differences in E-g of up to 0.87 eV). For P25 loaded with CuO even contradictive effects of metal loading on the E-g are observed using different EM. Different phase compositions of TiO2 are also shown to yield EM-dependent results. This paper thus comprehensively investigates the most common EM on different relevant photocatalyst material classes, illustrates their mathematical and graphical determination, gives recommendations which method to use based on a quantitative indicator and illustrates common pitfalls in determining E-g via UV/Vis DRS.

Automated summary

This study investigates the influence of different evaluation methods on the determination of band gap energy (E-g) in semiconductors. By evaluating 32 literature sources and conducting their own experiments, the authors find that the choice of evaluation method can lead to differences in E-g up to 0.87 eV. In the case of P25 loaded with CuO, contradictive effects of metal loading on E-g are observed using different methods. Different phase compositions of TiO2 also yield EM-dependent results. The paper provides recommendations for the use of evaluation methods and highlights common pitfalls in determining E-g via UV/Vis DRS.