de Oliveira, I. S. S.; Miwa, R. H. published the artcile< Organic molecules deposited on graphene: A computational investigation of self-assembly and electronic structure>, Formula: C19H34O2, the main research area is graphene adsorption tetracyanoquinodimethane tetrafluorotetracyanoquinodimethane tetrasodium pyrenetetrasulfonate self assembly DFT.
The authors use ab initio simulations to study the adsorption and the self-assembly processes of tetracyanoquinodimethane (TCNQ), tetrafluoro-tetracyanoquinodimethane (F4-TCNQ), and tetrasodium 1,3,6,8-pyrenetetrasulfonic acid (TPA) on the graphene surface. There are no chem. bonds at the mol.-graphene interface, even at the presence of grain boundaries on the graphene surface. The mols. bond to graphene through van der Waals interactions. In addition to the mol.-graphene interaction, the authors performed a detailed study of the role played by the (lateral) mol.-mol. interaction in the formation of the, exptl. verified, self-assembled layers of TCNQ and TPA on graphene. Regarding the electronic properties, the authors calculate the electronic charge transfer from the graphene sheet to the TCNQ and F4-TCNQ mols., leading to a p-doping of graphene. Meanwhile, such charge transfer is reduced by an order of magnitude for TPA mols. on graphene. In this case, it is not expected a significant doping process upon the formation of self-assembled layer of TPA mols. on the graphene sheet. (c) 2015 American Institute of Physics.
Journal of Chemical Physics published new progress about Adsorption. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics