As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
Robust H-infinity filtering for a class of uncertain discrete-time linear systems with time delays and missing measurements is studied in this paper. The uncertain parameters are supposed to reside in a convex polytop...Robust H-infinity filtering for a class of uncertain discrete-time linear systems with time delays and missing measurements is studied in this paper. The uncertain parameters are supposed to reside in a convex polytope and the missing measurements are described by a binary switching sequence satisfying a Bernoulli distribution. Our attention is focused on the analysis and design of robust H-infinity filters such that, for all admissible parameter uncertainties and all possible missing measurements, the filtering error system is exponentially mean-square stable with a prescribed H-infinity disturbance attenuation level. A parameter-dependent approach is proposed to derive a less conservative result. Sufficient conditions are established for the existence of the desired filter in terms of certain linear matrix inequalities （LMIs）. When these LMIs are feasible, an explicit expression of the desired filter is also provided. Finally, a numerical example is presented to illustrate the effectiveness and applicability of the proposed method.展开更多
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
基金This work was supported by the National Natural Science Foundation of China(No.60574084)the National 863 Project(No.2006AA04Z428)the National 973 Program of China(No.2002CB312200).
文摘Robust H-infinity filtering for a class of uncertain discrete-time linear systems with time delays and missing measurements is studied in this paper. The uncertain parameters are supposed to reside in a convex polytope and the missing measurements are described by a binary switching sequence satisfying a Bernoulli distribution. Our attention is focused on the analysis and design of robust H-infinity filters such that, for all admissible parameter uncertainties and all possible missing measurements, the filtering error system is exponentially mean-square stable with a prescribed H-infinity disturbance attenuation level. A parameter-dependent approach is proposed to derive a less conservative result. Sufficient conditions are established for the existence of the desired filter in terms of certain linear matrix inequalities （LMIs）. When these LMIs are feasible, an explicit expression of the desired filter is also provided. Finally, a numerical example is presented to illustrate the effectiveness and applicability of the proposed method.
