Table 1 Experimental and DFT calculation results for the estimation of the in-plane lattice constant a and the interlayer distances dAA.
bulk (Å) | surface (Å) | ||||||
---|---|---|---|---|---|---|---|
XRD* | calc. | calc. | Exp. This report | ||||
Graphite | a | 2.456 | 2.456 (0.0%) | 1 × 1 | |||
d AA | 3.348 | 3.356 (+0.2%) | 3.348 | −0.2% | 3.3 ± 0.2 | C0 – C1 | |
KC8 | a | 4.96 | 4.974 (+0.3%) | 5.0 ± 0.1 | 2 × 2 | ||
d AA | 5.35 | 5.362 (+0.2%) | 5.366 | +0.1% | 5.7 ± 0.3 | C0 – C2 |