A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescenc...A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.展开更多
The integration of the intelligent reflecting surface(IRS)with simultaneous wireless information and power transfer(SWIPT)has emerged as a cost-effective and efficient solution to enhance the performance of informatio...The integration of the intelligent reflecting surface(IRS)with simultaneous wireless information and power transfer(SWIPT)has emerged as a cost-effective and efficient solution to enhance the performance of information and energy transfer.In this research,a hybrid active/passive IRS-assisted SWIPT system is proposed.Specifically,an active IRS(AIRS)and a passive IRS(PIRS)are deployed in the SWIPT system to facilitate a multiantenna base station(BS)in simultaneously delivering information and energy to multiple information users(IUs)and energy users(EUs).The objective is to maximize the sum throughput by jointly optimizing the transmitter beamforming and the reflection coefficient matrices of the AIRS and the PIRS while satisfying the transmitter power constraints,the energy harvesting(EH)requirements of EUs,and the AIRS amplification power limitations.However,the optimization variables are highly coupled and cannot be solved directly.To tackle this complex problem,we propose an efficient algorithm based on alternating optimization(AO)and semi-definite relaxation(SDR)techniques to obtain high-quality solutions.Simulation results demonstrate that the hybrid active/passive IRSassisted SWIPT system significantly enhances throughput performance and outperforms benchmark systems.展开更多
文摘A series of blue and blue‑green Ir(Ⅲ)complexes has been investigated theoretically to explore their electronic structures,photophysical properties,efficiency roll‑off effect,and thermal activation delayed fluorescence(TADF)properties.All calculations were performed using density functional theory(DFT)and time‑dependent density functional theory(TDDFT).Calculations for electronic structures,frontier molecular orbital characteristics(which determine the efficiency roll‑off effect of the complexes),and photophysical properties were conducted using the Gaussian 09 software package.The calculation of spin‑orbit coupling matrix elements<T|HSOC|S>,which determine the TADF properties of the complexes,was performed using the ORCA software package.The calculation results show that the auxiliary ligand tetraphenylimidodiphosphinate(tpip),a strong electron‑withdrawing group,can mitigate the efficiency roll‑off effect of the complex.Furthermore,TADF is observed in one of the designed complexes,(F_(3)Phppy)_(2)Ir(tpip),where F_(3)Phppy=2‑[4‑(2,4,6‑trifluorophenyl)phenyl]pyridine.
基金National Natural Science Foundation of China(No.62301141)。
文摘The integration of the intelligent reflecting surface(IRS)with simultaneous wireless information and power transfer(SWIPT)has emerged as a cost-effective and efficient solution to enhance the performance of information and energy transfer.In this research,a hybrid active/passive IRS-assisted SWIPT system is proposed.Specifically,an active IRS(AIRS)and a passive IRS(PIRS)are deployed in the SWIPT system to facilitate a multiantenna base station(BS)in simultaneously delivering information and energy to multiple information users(IUs)and energy users(EUs).The objective is to maximize the sum throughput by jointly optimizing the transmitter beamforming and the reflection coefficient matrices of the AIRS and the PIRS while satisfying the transmitter power constraints,the energy harvesting(EH)requirements of EUs,and the AIRS amplification power limitations.However,the optimization variables are highly coupled and cannot be solved directly.To tackle this complex problem,we propose an efficient algorithm based on alternating optimization(AO)and semi-definite relaxation(SDR)techniques to obtain high-quality solutions.Simulation results demonstrate that the hybrid active/passive IRSassisted SWIPT system significantly enhances throughput performance and outperforms benchmark systems.
