Table 1 Calculation results of interaction energy and cell distortion energy between (002) surface of BA and several different rubrene surfaces.
From: Controlled Growth of Rubrene Nanowires by Eutectic Melt Crystallization
Surface | Growth Direction | Interaction Energy with BA Surface (002) (Eie, kcal/mol) | Cell Distortion Energy (Ecd, kcal/mol) | Interface Formation Energy (Eie + Ecd) |
|---|---|---|---|---|
(100) | c-axis | −7.06 | 11.55 | 4.49 |
b-axis | −7.22 | 11.55 | 4.33 | |
(010) | a-axis | −3.29 | 2.53 | −0.76 |
c-axis | −3.34 | 2.53 | −0.81 | |
(001) | b-axis | −17.67 | 19.06 | 1.39 |
a-axis | −17.36 | 19.06 | 1.70 |
