Molecular and dissociative adsorption of a single water molecule on a β-dicalcium silicate (100) surface explored by a DFT approach

Subjects

Subjects :

Surface (mathematics)
Materials science
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Dissociative adsorption
Silicate
0104 chemical sciences
chemistry.chemical_compound
Adsorption
chemistry
Calcium silicate
Materials Chemistry
Ceramics and Composites
Molecule
Physical chemistry
Density functional theory
0210 nano-technology

Details

ISSN :

00027820

Volume :

101

Database :

OpenAIRE

Journal :

Journal of the American Ceramic Society

Accession number :

edsair.doi...........9f7fb25ebccf78e637bf14e3c8e0f9e6

Full Text :

https://doi.org/10.1111/jace.15381