Simulation clarifies hydrophilic behavior and vibrational characteristics of θ-Al2O3 surface, indicating potential in catalysis.
One of the long-term goals of catalysis is to clarify and understand structure-function relationships. In this work, hydrophilicity of θ-Al2O3 surface is simulated. The results show sustained H2O/OH adsorption at...
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Yang et al. (2026) studied this question.
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