Cation substitution induced reactivity variation on the tricalcium silicate polymorphs determined from first-principles calculations

Title
Cation substitution induced reactivity variation on the tricalcium silicate polymorphs determined from first-principles calculations
Authors
Keywords
Tricalcium silicate polymorphs, First-principles calculation, Impurities, Non-bonding electrons, Electrophilic attack
Journal
CONSTRUCTION AND BUILDING MATERIALS
Volume 216, Issue -, Pages 239-248
Publisher
Elsevier BV
Online
2019-05-09
DOI
10.1016/j.conbuildmat.2019.05.005

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