The adsorption of a single water molecule on low-index C3S surfaces: A DFT approach
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DOI: 10.1016/j.apsusc.2018.12.063
Abstract: Abstract The adsorption of water molecules on tricalcium silicate (C3S), which influences the initial hydration of C3S, is still unclear at the atomistic level. In the present paper, density functional theory is employed to depict… read more here.
Keywords: c3s surfaces; water molecule; adsorption; c3s ... See more keywords