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. 2021 Aug 8;6(32):21071–21086. doi: 10.1021/acsomega.1c02811

Table 5. Estimated Physical Parameters (eV) according to Frontier Energy Gaps.

compound EH EL EH – EL EL – EH x μ η S (eV–1) ω σ (eV)
MATY –0.1868 –0.1100 –0.0768 0.0768 0.1484 –0.1484 0.0384 0.0192 0.2868 26.0417
MATYCu –0.1798 –0.1444 –0.0354 0.0354 0.16211 –0.1621 0.0177 0.0089 0.7415 56.4334
MATYFe –0.0619 –0.0270 –0.0349 0.0349 0.04443 –0.0444 0.0175 0.0087 0.0565 57.2902
MATYPd –0.1463 –0.1198 –0.0265 0.0265 0.13308 –0.1331 0.0133 0.0066 0.6683 75.4717