Erratum: Molecular dynamics simulations of ordered alkane chains physisorbed on graphite [J. Chem. Phys. 96, 6213 (1992)]

Two-Dimensional Crystals of Alkanes Formed on Au(111) Surface in Neat Liquid: Structural Investigation by Scanning Tunneling Microscopy

“…90°, indicating that the molecular axis was oriented in the [11 h0] direction, i.e., the NN direction of the gold surface. The magnified image of the gold surface in other odd-numbered alkanes, C 13 and C 15 , showed an identical molecular arrangement to that observed in C 17 except for the molecular lengths, which were 1.8 and 2.4 nm in C 13 and C 15 , respectively, as shown in Figure 1, b′ and d′.…”

“…The preferential orientation of the molecular axis in the NN direction was consistent with the molecular dynamics simulation which showed that diffusion and adsorption along the NN direction were favorable on Pt(111). 23,24 The local structure of the 2D crystals of alkanes was investigated by STM on graphite in solution; the molecular arrangement was commensurate and the angle between the molecular row and the molecular axis was 90 in both odd 20,21 and even [14][15][16][17][18][19] alkane 2D crystals on the graphite. The molecular arrangement was commensurate on graphite, Pt(111), and Cu(111) but was incommensurate on Ag-(111) and Au(111) surface.…”

“…In addition, the physisorption of alkanes has been studied on Au(111), 6 Pt(111), 7,8 Pt(110), 9 Ir(110), 10 Cu(100), 11 Ru(001), 12 and Cu(111), 13 under UHV conditions. However, the local arrangement of the alkanes on a metal surface has not been investigated in contrast to numerous reports of alkane adlayers on graphite at the solid/liquid interface, [14][15][16][17][18][19][20][21] although studies using molecular dynamics 12,[22][23][24][25][26][27] and infrared spectroscopy [28][29][30][31][32] under UHV conditions have been carried out after the reports by Firment and Somorjai. Furthermore, the structure of the alkane/metal interface in solution was not investigated.…”

Ultra-high vacuum scanning tunneling microscopy and theoretical studies of 1-halohexane monolayers on graphite

“…The backbone plane of 1-bromohexane molecules is always found to be oriented parallel to the surface plane (a flat configuration), in contrast to nonfunctionalized alkanes on graphite, where experimental data indicate a variable backbone orientation (4,5,7,(42)(43)(44). As discussed above, the orientation of the molecular backbone plane affects the nearestneighbor distance of the adsorbate layer (4, 7) and therefore influences the tradeoff between molecule-graphite and moleculemolecule dispersion interactions (47).…”

“…Numerous experimental (1-10, 13, 14, 16-19, 21, 22, 24, 27, 28, 30-41) and theoretical (39,42,43) studies have investigated the self-assembled monolayers formed when a melt or solution containing alkanes or their derivatives is brought in contact with the basal plane of a graphite substrate. Scanning tunneling microscopy (STM) (2-6, 8-10, 13, 14, 16-19, 24, 27, 28, 31-38, 40, 41) and diffraction-based probes (7,39,44,45) have been used to characterize the crystallographic monolayer parameters as well as the orientation and conformation of the constituent molecular species.…”