Cai, Xing Hong; Yang, Qiang; Hui, Qun; Wang, Min published the artcile< First-principles calculations of molecular adsorption on the surface of two-dimensional BCOH>, HPLC of Formula: 112-63-0, the main research area is benzenetriboronic acid mol adsorption electronic property.
A two-dimensional structure by the dehydration reaction of 1,3,5-benzenetriboronic acid (shorted as BCOH) is investigated. BCOH is dynamically and thermally stable. It is an indirect semiconductor possessing a band gap of 3.83 eV. The adsorption behavior of CO, CO2, H2, H2O, NH3, NO and NO2 on BCOH are mainly investigated. The results show that most of the gas mols. prefer to adsorb at the interval sites (I1 or I3). The adsorption energies of NO and NO2 are lower than the other mols., revealing that NO and NO2 have better adsorption affinity on BCOH. Except NO and NO2, the band gaps are slightly changed with the mol. adsorption. When NO or NO2 is adsorbed on BCOH, the band gap becomes zero, revealing that a semiconductor-to-metal transition occurs and the conductivity is improved a lot. Thus, BCOH may provide promising potentials for the detection of nitrogen oxides (NO or NO2).
Chemical Physics published new progress about Adsorption. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics