ArticleACS omega2026
Elastic and Electronic Properties of Alkali Charge-Balanced Calcium Aluminosilicate Hydrate Nanocomposites: A First-Principles Study.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Magnesium-Calcium Exchange-Driven Elastic Properties of Alkali Charge-Balanced Aluminosilicate-Graphene Nanocomposites.Nanomaterials (Basel, Switzerland) · 2026Article
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Authors and funding
4 authors.
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Abstract
Graphene-based nanomaterials are regarded as outstanding candidates for enhancing cementitious nanocomposites owing to their superior elastic properties. Using a density functional theory (DFT) simulation approach, this study provides an in-depth analysis of the electronic and elastic behavior of alkali-activated Al-substituted tobermorite 14Å structures, adopted here as representative crystalline analogues based on the experimental structural models proposed in previous studies, forming [C-(Na-)-A-S-H] and [C-(K-)-A-S-H] gels reinforced with hydroxyl- and epoxy-functionalized reduced graphene oxide (rGO) lattices. The simulations reveal that interfacial bonding and elastic properties are strongly governed by the type of rGO functionalization. Hydroxyl-functionalized rGO nanosheets enhance proton mobility and stabilize the alkali C-A-S-H phase through the formation of strong covalent bonds with AlO
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