Mechanistic insights into CaO hydration at the atomic scale from machine-learning molecular dynamics
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OpenAlex topics: Machine Learning in Materials Science · Advanced Chemical Physics Studies · Spectroscopy and Quantum Chemical Studies
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References (7)
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1. Influence of the combination of calcium oxide and sodium carbonate on the hydration reactivity of alkali-activated slag binders10.1016/j.jclepro.2017.10.077 ↗
2. The mechanism of vapor phase hydration of calcium oxide: implications for CO2 capture10.1021/es5034662 ↗
3. Determination of the hydration and carbonation kinetics of CaO for low-temperature applications10.1016/j.ces.2024.120146 ↗
4. Efficient CO2 capture and in-situ electrocatalytic conversion on MgO surface by metal single-atom engineering: a comprehensive DFT study10.1016/j.seppur.2024.126489 ↗
5. Tailoring solvent-mediated CO2 reservoirs at heterointerfaces for enhanced electrochemical CO2-to-C2H4 conversion10.1021/jacs.5c06799 ↗
6. Comparative simulations of CO2 adsorption on diverse carbon materials via machine learning-based molecular dynamics10.1016/j.apsusc.2025.165199 ↗
7. Unraveling the early-stage hydration mechanism of tricalcium silicate via machine learning potentials10.1016/j.cej.2026.176856 ↗