The Influence of Ionic Liquids Adsorption on the Electronic and Optical Properties of Phosphorene and Arsenene with Different Phases: A Computational Study was written by Zhu, Lin;Fu, Aiping. And the article was included in Molecules in 2022.Application of 75-57-0 The following contents are mentioned in the article:
D. functional theory (DFT) calculations have been performed to investigate the interfacial interactions of ionic liquids (ILs) on the α- and β-phases of phosphorene (P) and arsenene (As). Nine representative ILs based on the combinations of 1-ethyl-3-methylimidazolium ([EMIM]+), N-methylpyridinium ([MPI]+), and trimethylamine ([TMA]+) cations paired to tetrafluoroborate ([BF4]–), trifluoromethanesulfonate ([TFO]–), and chloridion (Cl–) anions were used as adsorbates on the 2D P and As nanosheets with different phases to explore the effect of IL adsorption on the electronic and optical properties of 2D materials. The calculated structure, adsorption energy, and charge transfer suggest that the interaction between ILs and P and As nanosheets is dominated by noncovalent forces, and the most stable adsorption structures are characterized by the simultaneous interaction of the cation and anion with the surface, irresp. of the types of ILs and surfaces. Furthermore, the IL adsorption leads to the larger change in the electronic properties of β-phase P and As than those of their α-phase counterparts, which demonstrates that the adsorption properties are not only related to the chem. elements, but also closely related to the phase structures. The present results provide insight into the further applications of ILs and phosphorene (arsenene) hybrid materials. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Application of 75-57-0).
Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 75-57-0
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics