Electronic Structure and Physical Characteristics of Dioxin Under External Electric Field

Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be strictly controlled.The bond length,bond angle,energy,dipole moment,orbital energy level distribution of dioxin under the external field are investigated using DFT(density functional theory)on basis set level of B3LYP/6-31G(d,p).The results indicate that with the increase of the electric field,the length of one Carbon-Oxygen bond increases while another Carbon-Oxygen bond decreases.The energy gradually decreases with the electric field,while the change of the dipole moment has an opposite trend.In the infrared spectra,the vibration frequency decreases with the electric field increasing and shows an obvious red shift.Moreover,the ultraviolet-visible absorption spectra under different electric fields are analyzed with TD-DFT(time-dependent density functional theory)method.The wavelength of the strongest absorption peak increases and occurs red shift with the increase of the electric field.All the above results can provide reference for further research on the properties of dioxin under different external electric field.

Rapid identification of volatile organic compounds and their isomers in the atmosphere

Isomers are widely present in volatile organic compounds(VOCs),and it is a tremendous challenge to rapidly distinguish the isomers of VOCs in the atmosphere.In this work,laserinduced breakdown spectroscopy(LIBS)technology was developed to online distinguish VOCs and their isomers in the air.First,LIBS was used to directly detect halogenated hydrocarbons(a typical class of VOCs)and the characteristic peaks of the related halogens were observed in the LIBS spectra.Then,comparing the LIBS spectra of various samples,it was found that for VOCs with different molecular formulas,although the spectra are completely the same in elemental composition,there are still significant differences in the relative intensity of the spectral lines and other information.Finally,in light of the shortcomings of traditional LIBS technology in identifying isomers,machine learning algorithms were introduced to develop the LIBS technique to identify the isomers of atmospheric VOCs,and the recognition results were very good.It is proved that LIBS combined with machine learning algorithms is promising for online traceability of VOCs in the atmospheric environment.

2D layered black arsenic-phosphorus materials:Synthesis,properties,and device applications

Phosphorene,especially black phosphorus(BP),has attracted considerable attention due to the unique characteristics,such as tunable direct bandgap,high carrier mobility,and strong in-plane anisotropy.Recently,a new modification strategy for black phosphorus has been developed by alloying black phosphorus with the congener element arsenic.The elemental composition tuning of black phosphorus with arsenic can not only maintain its special crystal structure and high anisotropy but also modify its electrical and optical properties for the further applications of multifunctional devices.The achieved two-dimensional(2D)black arsenic-phosphorus materials exhibit outstanding optical,electrical,and photoelectric properties,such as very narrow band gap,anisotropic infrared absorption,and bipolar transfer characteristics,presenting great potential in infrared photodetectors and highperformance field effect transistors(FETs).In this review,we introduce the recent progress made in the synthesis and applications of black arsenic-phosphorus,and provide an outlook and perspectives on the current challenges and future opportunities in this field.We hope that this review can bring new insights and inspirations on the further development of 2D black arsenic-phosphorus based materials and devices.