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Improving Bandgap Determination by Optical Spectroscopy: Comparative Evaluation of ISARS, UV-vis, and Diffuse
Huy Pham1, Juliana Cardoso Neves2, Rongjing Yan1
1Department of Chemistry, Mississippi State University, Mississippi State, Mississippi 39762, United States.
Integrating sphere-assisted resonance synchronous spectroscopy (ISARS) offers a reliable method for determining optical bandgaps by accurately measuring absorption coefficients. This technique outperforms UV-vis and diffuse reflectance spectroscopy, especially for diverse materials.
Area of Science:
- Materials Science
- Spectroscopy
- Optoelectronics
Background:
- Accurate optical bandgap determination is crucial for photoactive materials.
- The Tauc plot method relies on precise absorption coefficient (α) quantification.
- Existing spectroscopic methods have limitations in accuracy and applicability.
Purpose of the Study:
- To systematically evaluate and compare UV-vis, DRS, and ISARS for absorption coefficient measurement.
- To assess the suitability of these techniques for Tauc plot-based bandgap analysis.
- To identify the most robust and versatile method for bandgap characterization.
Main Methods:
- Development of generalized mathematical models for UV-vis, DRS, and ISARS spectral signal parametrization.
- Evaluation of each technique's ability to approximate the true absorption coefficient spectrum.
- Comparison of performance based on sample type (solid/solution), scattering, and fluorescence interference.
Main Results:
- UV-vis spectroscopy is highly limited, suitable only for non-interfering samples.
- DRS and ISARS show comparable accuracy for solids but DRS is sensitive to fluorescence and limited to solids.
- ISARS demonstrates superior performance: effective for solids and solutions, resilient to interference, and requires minimal preparation.
Conclusions:
- ISARS is a highly accurate, broadly applicable, and user-friendly technique for bandgap characterization.
- Its robustness against scattering and fluorescence makes it ideal for diverse materials.
- ISARS, implementable with standard equipment, promises to accelerate photoactive material discovery.
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