[18a-M_123-1~13] 12.2 Characterization and Materials Physics

9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)

[18a-M_123-2] Automated Determination of Ionization Energy and Electron Affinity from Ultraviolet Photoelectron and Low-Energy Inverse Photoelectron Spectra

〇Hiroyuki Yoshida^1,2, Yuki Kusano¹, Daichi Egami¹ (1.Chiba Univ., 2.MCRC, Chiba Univ.)

Keywords:

automated anaysis,ionization energy/electron affinity,photoelectron spectroscopy

We present an automated framework to determine ionization energy (IE) and electron affinity (EA) by analyzing the spectral onset of ultraviolet photoelectron spectroscopy (UPS) and low-energy inverse photoelectron spectroscopy (LEIPS). As these onsets are not well described by simple functional forms, automated analysis has been challenging. We introduce two approaches:supervised machine learning and a segmented polynomial fitting method developed in our group. Using experimental spectra, we evaluate the accuracy and robustness of these methods, and outline a pathway toward reliable, high-throughput, fully automated determination of IE and EA.