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Exceptional Electrochromic Solar Modulation Using Polyanionic Dopant Templated Poly(diphenylamine) Thin Films

https://doi.org/10.1021/acsaom.3c00421

Grewal, Simranjit; Habteyes, Terefe G; Takele, Wassie M; Chen, Dongchang; Grey, John K; Hahn, Nathan T (March 2024, ACS Applied Optical Materials)

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The nature of nanoclusters in aqueous zinc sulfate electrolytes

https://doi.org/10.1039/D5EB00119F

Antonio, Emma N; Kitsu_Iglesias, Luis; Chaney, Thomas P; Jiang, Yinke; Bera, Mrinal K; Mars, Julian; Han, Kee Sung; Hahn, Nathan T; Tepavcevic, Sanja; Maginn, Edward; et al (October 2025, EES Batteries)

Transient nanoclusters in aqueous ZnSO₄electrolytes are revealed with X-ray scattering and molecular dynamics simulations. These nanoclusters exhibit diverse sizes and geometries, influencing ion correlations and transport properties.
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Free, publicly-accessible full text available October 6, 2026
Probing calcium solvation by XAS, MD and DFT calculations

https://doi.org/10.1039/d0ra05905f

Yang, Feipeng; Liu, Yi-Sheng; Feng, Xuefei; Qian, Kun; Kao, Li Cheng; Ha, Yang; Hahn, Nathan T.; Seguin, Trevor J.; Tsige, Mesfin; Yang, Wanli; et al (July 2020, RSC Advances)

The solvation shell structures of Ca 2+ in aqueous and organic solutions probed by calcium L-edge soft X-ray absorption spectroscopy (XAS) and DFT/MD simulations show the coordination number of Ca 2+ to be negatively correlated with the electrolyte concentration and the steric hindrance of the solvent molecule. In this work, the calcium L-edge soft XAS demonstrates its sensitivity to the surrounding chemical environment. Additionally, the total electron yield (TEY) mode is surface sensitive because the electron penetration depth is limited to a few nanometers. Thus this study shows its implications for future battery studies, especially for probing the electrolyte/electrode interface for electrochemical reactions under in situ /operando conditions.
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