Incommensurate epitaxy of tetrathiophene on potassium hydrogen phthalate: Insights from molecular simulation

Crystal Growth and Design

Volumn 6, Issue 8, 2006, Pages 1826-1832

  Marcon, Valentina ^a   Raos, Guido ^a   Campione, Marcello ^b   Sassella, Adele ^b  

^a POLITECNICO DI MILANO   (Italy)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748336935     PISSN: 15287483     EISSN: None     Source Type: Journal    
DOI: 10.1021/cg0601453     Document Type: Article

References (28)

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24. 2(t)〉 = 4Dt (note that 4 = 2 × d is the appropriate prefactor for diffusion in d = 2 dimensions). The difficulty in providing a quantitative estimate of the diffusion coefficient D is mainly due to the fact that, in the present simulations, we do not benefit from the advantage of averaging over the mean-square displacements of several molecules.
25. We point out that the symmetry of a 4T/LT monolayer is lower than that of a single 4T molecule. Therefore, while the orientation of the latter with respect to CKAP can be specified by giving an angle in the [0°, 90°] range (see Figures 3 and 4), the orientation of the former requires an angle in the [0°, 180°] range (i.e., the θ and 180° - θ angles are no longer equivalent).
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