Organic thermoelectric(OTE)materials and devices have garnered significant attention in the past decade for flexible and wearable electronics.Due to the numerous combinations of different backbones,side chains,and fun...Organic thermoelectric(OTE)materials and devices have garnered significant attention in the past decade for flexible and wearable electronics.Due to the numerous combinations of different backbones,side chains,and functional groups for polymer molecules,further efficient developments of high perfor-mance OTEs rely on reverse and rational molecular design as well as fundamental understanding to the structure-property relationship,which both require precise theoretical input.Recently,many theo-retical efforts and progresses have been made to predict TE properties and develop high performance OTE materials.Here,we present first the general methods and principles for OTE theoretical calculations.Subsequently,the latest theoretical advances regarding the effects of molecular design,chemical dop-ing,ambipolar charge transport etc.,to TE conversion are carefully reviewed.These theoretical advances not only significantly deepen the fundamental understanding of OTEs,but also provide precise guidance to the molecular design of OTE materials.Finally,we propose several perspectives for future theoretical investigations of OTEs.展开更多
The novel zirconium oxide, nickel oxide and zinc oxide nanoparticles supported activated carbons（Zr-AC, Ni-AC, Zn-AC） were successfully fabricated through microwave irradiation method. The synthesized nanoparticles ...The novel zirconium oxide, nickel oxide and zinc oxide nanoparticles supported activated carbons（Zr-AC, Ni-AC, Zn-AC） were successfully fabricated through microwave irradiation method. The synthesized nanoparticles were characterized using XRD, HR-SEM, XPS and BET. The optical properties of Zr-AC, Ni-AC and Zn-AC composites were investigated using UV–Vis diffuse reflectance spectroscopy. The photocatalytic efficiency was verified in the degradation of textile dyeing wastewater（TDW） in UV light irradiation. The chemical oxygen demand（COD） of TDW was observed at regular intervals to calculate the removal rate of COD. Zn-AC composites showed impressive photocatalytic enrichment, which can be ascribed to the enhanced absorbance in the UV light region, the effective adsorptive capacity to dye molecules, the assisted charge transfer and the inhibited recombination of electron-hole pairs. The maximum TDW degradation（82% COD removal） was achieved with Zn-AC. A possible synergy mechanism on the surface of Zn-AC was also designed. Zn-AC could be reused five times without exceptional loss of its activity.展开更多
基金support from the National Natural Science Foundation of China(Nos.22125504,22305253,62205347)the Beijing Natural Science Foundation(No.Z220025)the K.C.Wong Education Foundation(No.GJTD-2020-02).
文摘Organic thermoelectric(OTE)materials and devices have garnered significant attention in the past decade for flexible and wearable electronics.Due to the numerous combinations of different backbones,side chains,and functional groups for polymer molecules,further efficient developments of high perfor-mance OTEs rely on reverse and rational molecular design as well as fundamental understanding to the structure-property relationship,which both require precise theoretical input.Recently,many theo-retical efforts and progresses have been made to predict TE properties and develop high performance OTE materials.Here,we present first the general methods and principles for OTE theoretical calculations.Subsequently,the latest theoretical advances regarding the effects of molecular design,chemical dop-ing,ambipolar charge transport etc.,to TE conversion are carefully reviewed.These theoretical advances not only significantly deepen the fundamental understanding of OTEs,but also provide precise guidance to the molecular design of OTE materials.Finally,we propose several perspectives for future theoretical investigations of OTEs.
基金financial support rendered by the Salesians of Don BoscoDimapur Province+1 种基金NagalandNorth East India
文摘The novel zirconium oxide, nickel oxide and zinc oxide nanoparticles supported activated carbons（Zr-AC, Ni-AC, Zn-AC） were successfully fabricated through microwave irradiation method. The synthesized nanoparticles were characterized using XRD, HR-SEM, XPS and BET. The optical properties of Zr-AC, Ni-AC and Zn-AC composites were investigated using UV–Vis diffuse reflectance spectroscopy. The photocatalytic efficiency was verified in the degradation of textile dyeing wastewater（TDW） in UV light irradiation. The chemical oxygen demand（COD） of TDW was observed at regular intervals to calculate the removal rate of COD. Zn-AC composites showed impressive photocatalytic enrichment, which can be ascribed to the enhanced absorbance in the UV light region, the effective adsorptive capacity to dye molecules, the assisted charge transfer and the inhibited recombination of electron-hole pairs. The maximum TDW degradation（82% COD removal） was achieved with Zn-AC. A possible synergy mechanism on the surface of Zn-AC was also designed. Zn-AC could be reused five times without exceptional loss of its activity.
