Screening Out Reactivity-Promoting Candidates for γ-Ca2SiO4 Carbonation by First-Principles Calculations

γ-Ca2SiO4 as a promising carbonation-activated cementitious material features an attractive capacity of carbon sequestration. Improving the carbonation reactivity of γ-Ca2SiO4 is of great significance for its practical application. In this paper, first-principles calculations are performed to single...

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Bibliographic Details
Main Authors: Yong Tao, Yuandong Mu, Wenqin Zhang, Fazhou Wang
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-09-01
Series:Frontiers in Materials
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fmats.2020.00299/full