Tang, Zeyuan’s team published research in Journal of Chemical Physics in 156 | CAS: 191-07-1

Journal of Chemical Physics published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C12H10F2Si, Quality Control of 191-07-1.

Tang, Zeyuan published the artcileDimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene, Quality Control of 191-07-1, the publication is Journal of Chemical Physics (2022), 156(13), 134703, database is CAplus and MEDLINE.

Dimerization of polycyclic aromatic hydrocarbons (PAHs) is an important, yet poorly understood, step in the on-surface synthesis of graphene (nanoribbon), soot formation, and growth of carbonaceous dust grains in the interstellar medium (ISM). The on-surface synthesis of graphene and the growth of carbonaceous dust grains in the ISM require the chem. dimerization in which chem. bonds are formed between PAH monomers. An accurate and cheap method of exploring structure rearrangements is needed to reveal the mechanism of chem. dimerization on surfaces. This work has investigated the chem. dimerization of two dehydrogenated PAHs (coronene and pentacene) on graphene via an evolutionary algorithm augmented by machine learning surrogate potentials and a set of customized structure operators. Different dimer structures on surfaces have been successfully located by our structure search methods. Their binding energies are within the exptl. errors of temperature programmed desorption measurements. The mechanism of coronene dimer formation on graphene is further studied and discussed. (c) 2022 American Institute of Physics.

Journal of Chemical Physics published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C12H10F2Si, Quality Control of 191-07-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia