Low energy electron diffraction of the system In-[perylene-3,4,9, 10-tetracarboxylic dianhydride] on MoS2

Abstract

The system In-[perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)] on MoS2, prepared by the sequential evaporation of PTCDA and In on a cleaved MoS2 surface, was studied by low energy electron diffraction. The result indicates that reaction products form an ordered structure on the MoS2 surface. From the analysis of the diffraction pattern, the presence of six symmetry-equivalent domains of an oblique unit cell of In-PTCDA species results with the dimensions of 9.5 Å, 16.3 Å, and an enclosed angle of 80.2°. In addition, splitting in two domains by a mirror plane exists with the rotation angle R=±10.8° with respect to each of the three equivalent surface crystal axes of the MoS2 substrate. The new structure is explained by assuming that four In atoms are chemically bonded to the four carbonyl groups of the PTCDA molecules. Furthermore, it is concluded that the In4PTCDA species become tilted after a chemical reaction between the PTCDA molecules and the In atoms, which is in agreement with results previously obtained by angle-resolved ultraviolet photoemission experiments.

Self-assembly of electronically abrupt borophene/organic lateral heterostructures

“…Integration of this ensemble-averaged force with respect to distance from 11.914 to 2.254 Å yielded the Gibbs free energy as a function of z with respect to the Gibbs free energy of a molecule far from the surface (that is, in free vacuum). References (49)(50)(51)…”

“…Self-assembly process of PTCDA on heterogeneous borophene/Ag(111) with Δ H ads,Ag = 38 k B T and Δ H ads,B = 22 k B T . References ( 49 – 51 )…”

“…Self-assembly process of PTCDA on heterogeneous borophene/Ag(111) with DH ads,Ag = 38k B T and DH ads,B = 10k B T. movie S3. Self-assembly process of PTCDA on heterogeneous borophene/Ag(111) with DH ads,Ag = 38k B T and DH ads,B = 22k B T.References(49)(50)(51)…”

Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules

“…The considered molecules, pyrene and perylene, are of particular interest in the context of hybrid materials. The former is frequently adopted as an luminescent probe on several inorganic substrates [77,78]; the latter and its derivatives have been extensively used in hybrid interfaces [79][80][81] as they absorb visible radiation. In order to achieve a rigorous description of the band structures of the considered systems, spin-orbit coupling (SOC) effects, which are known to be crucial in the above-mentioned TMDCs, are explicitly accounted for.…”

Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and CO carbonyl compounds

“…1,2 Metal-organic compounds, one type of molecular device, have attracted considerable attention over the past decade in view of their potential applications in electronic and optelectronic devices. [3][4][5][6][7] In particular, CLO carbonyl compounds, such as perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) shown in Fig. 1, exhibit high performance as molecular devices.…”