Reactivity of the calcite–water-interface, from molecular …
In the bulk calcite structure Ca 2+ and CO 3 2− ions are perfectly aligned along molecular layers parallel to calcite (1 0 4), which makes the calcite (1 0 4) face in principle a non-polar surface. However, the refined interface structure shows, that Ca 2+ and CO 3 2−, are dislocated in different directions along the surface normal, in the ...
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