Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded p...Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded photonic crystals arranged in a structure composed of periodic and quasi-periodic sequences on a normalized scale.The effective dielectric function,which determines the absorption of the plasma,is subject to the basic parameters of the plasma,causing the absorption of the proposed absorber to be easily modulated by these parameters.Compared with other quasi-periodic sequences,the Octonacci sequence is superior both in relative bandwidth and absolute bandwidth.Under further optimization using IPSO with 14 parameters set to be optimized,the absorption characteristics of the proposed structure with different numbers of layers of the smallest structure unit N are shown and discussed.IPSO is also used to address angular insensitive nonreciprocal ultrawide bandwidth absorption,and the optimized result shows excellent unidirectional absorbability and angular insensitivity of the proposed structure.The impacts of the sequence number of quasi-periodic sequence M and collision frequency of plasma1ν1 to absorption in the angle domain and frequency domain are investigated.Additionally,the impedance match theory and the interference field theory are introduced to express the findings of the algorithm.展开更多
The integrated intensities of the collision-induced absorption of the V2 band of ^12CH4 perturbed by Ar have been calculated theoretically using the ab initio calculations, and the value of the quadrupole transition m...The integrated intensities of the collision-induced absorption of the V2 band of ^12CH4 perturbed by Ar have been calculated theoretically using the ab initio calculations, and the value of the quadrupole transition moment we obtained is (0/Q/V2) = 5.226ea^2.. The corresponding experimental value obtained from ^12 CH4-Ar spectra is /〈0/Q/V2)/ = 4.931ea^2. Ignoring vibration-rotation interaction and Coriolis interaction, and considering both the theoretical approximations and experimental uncertainties, the agreement can be regarded as good, thus confirming that the enhancement is due to the quadrupole collision-induced mechanism.展开更多
The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functi...The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functional theory (DFT). The effects of antimony (Sb) on the lattices,electric bands,electronic state density,absorption spectroscopy,and band gap between the valence band maximum (VBM) and the conduction band minimum (CBM) of CdTe1-xSbx are discussed. The results show that the antimonic atoms in the lattice are advantageous in promoting the hole concentration and conductivities of CdTe1-xSbx. The increase of the Sb content in CdTe1-xSbx reduces the interaction among Cd,Te,and Sb; resulting in a decreased binding energy within CdTe1-xSbx as well as an increase in the electronic gap. Also discussed are the mechanics for the lattice phase change of CdTe1-xSbx at x=0.5.展开更多
The nonlinear absorption properties of direct (GaN) and indirect (CdI2) band gap crystals have been studied by using an open aperture Z-scan technique under fundamental (1064 nm) and frequency doubled (532 nm) wavelen...The nonlinear absorption properties of direct (GaN) and indirect (CdI2) band gap crystals have been studied by using an open aperture Z-scan technique under fundamental (1064 nm) and frequency doubled (532 nm) wavelength respectively with 10 ns or 60 ps pulse durations. Direct band gap crystal exhibits two and three photon absorption at all input irradiances. On the other hand, at low input irradiance the indirect band gap crystal exhibits saturable absorption (SA). At higher input irradiances two and three photon absorption becomes dominant. A monotonic increase of the nonlinear absorption coefficients with increasing laser pulse duration from 60 ps to 10 ns is observed for GaN and CdI2 crystals.展开更多
Rare earth sulfides were systematically synthesized via the sulfurization of their commercial oxide powders using CS2 gas to shorten sulfurization time, and their UV-vis absorption spectra were investigated. The appro...Rare earth sulfides were systematically synthesized via the sulfurization of their commercial oxide powders using CS2 gas to shorten sulfurization time, and their UV-vis absorption spectra were investigated. The appropriate sulfurization conditions were studied. For the rare earth sulfides with the same crystal structure, the sulfurization temperature showed increasing tendency with the decrease of rare earth element atomic radii. The UV-vis absorption spectra of rare earth sulfides did not depend on the crystal structure of rare earth sulfides, but on the 4f electronic structure of rare earth element. The data showed that the optical band gaps of rare earth sulfides were irregular, and the values ranged from 1.65 to 3.75 eV.展开更多
Photoinduced electron transfer processes between fullerenes (C60 / C70) and N, N, N, N tetra - ( p-methylphenyl ) - 4, 4 diamino - 1, 1- diphenyl ether ( TPDAE ) have been studied by nanosecond laser flash photolysis....Photoinduced electron transfer processes between fullerenes (C60 / C70) and N, N, N, N tetra - ( p-methylphenyl ) - 4, 4 diamino - 1, 1- diphenyl ether ( TPDAE ) have been studied by nanosecond laser flash photolysis. Quantum yields and rate constants of electron transfer from TPDAE to excited triplet state of fullerenes (C60 / C70 ) in benzonitrile have been evaluated by observing the transient absorption bands in the near-IR region where the excited triplet state, radical anion of fullerenes ( C60 / C70 ) and radical cations of TPDAE appear.展开更多
It was reported on the elimination of interfering absorption of BTX. the absorption of O2 includes different absorption bands, which change differently when the partial pressure of oxygen is varied. These cause the no...It was reported on the elimination of interfering absorption of BTX. the absorption of O2 includes different absorption bands, which change differently when the partial pressure of oxygen is varied. These cause the nonlinear absorption of O2 and the observed band shape to vary with the column density of O2. The absorption ratios of molecular absorption in each of the Herzberg bands and dimer absorptions, as well as the contribution to the correction error of molecular absorption, are studied based on the characteristic of these absorption bands. The optimized way to eliminate the interfering absorption is obtained in the end and the effectiveness of using interpolation proposed by Volkamer et al. to remove O2 absorption is proved again. As to O2 and SO2, the effect of the thermal effect of characteristic spectra on the elimination error of their absorption is studied. Solutions to these problems are discussed and demonstrated together with methods to optimize the interpolation of spectra. As a sample application, differential optical absorption spectroscopy (DOAS) measurements of BTX are carried out. Results show a low detection limit and the good correlation with point instruments are achieved. All these prove the feasibility of using spectral interpolation to improve the accuracy of DOAS measurements of aromatic hydrocarbons for practical purposes.展开更多
The optical absorption of GaAs nanorings (NRs) under adc electric field and a terahertz (THz) ac electric field applied in the plane containing the NRs is investigated theoretically. The NRs may enclose some magne...The optical absorption of GaAs nanorings (NRs) under adc electric field and a terahertz (THz) ac electric field applied in the plane containing the NRs is investigated theoretically. The NRs may enclose some magnetic flux in the presence of a magnetic field perpendicular to the NRs plane. Numerical calculation shows that the excitonic effects are essential to correctly describe the optical absorption in NRs. The applied lateral THz electric field, as well as the dc field leads to reduction, broadening and splitting of the exciton peak. In contrast to the presence of a dc field, significant optical absorption peak arises below the zero-field bandgap in the presence ofa THz electric field at a certain frequency. The optical absorption spectrum depends evidently on the frequency and amplitude of the applied THz field and on the magnetic flux threading the NRs. This promises potential applications of NRs for magneto-optical and THz electro-optical sensing.展开更多
Optical absorption properties of electron beam evaporated a-Si films(a-Si_(1-x)Gd_x films)are studied for various composition x.It is shown from the experimental results that variation of chemical composition in this ...Optical absorption properties of electron beam evaporated a-Si films(a-Si_(1-x)Gd_x films)are studied for various composition x.It is shown from the experimental results that variation of chemical composition in this kind of materials will lead to a change in near infrared absorption.For 0.1 at%<x<1.0 at%,the changes of op- tical absorption in the films are more sensitive.The optical band gap narrows with increasing content x from 1.52 to 1.36 eV.Doping Gd element properly will be able to compensate the dangling bonds in a-Si films to improve thermal stability and mechanical properties of a-Si films.展开更多
Infrared (IR) absorption spectra and X-ray powder diffraction (XRD) patterrns of sexpenfine cat's eye from Sichuan Province have been investigated, and infrared absorption bands of the serpentine have been assign...Infrared (IR) absorption spectra and X-ray powder diffraction (XRD) patterrns of sexpenfine cat's eye from Sichuan Province have been investigated, and infrared absorption bands of the serpentine have been assigned in this paper. The results indicate that the bands near 3 600 - 3 700 cm^-1 belong to the stretching absorption band VOH, the bands in 948 - 1 100 cm^-1 axe assigned to the stretching vibraling band Usvo, and the bands at 600 570 and 440 cm^-1 respectively belong to the bending vibration band VOH, δMg-O and δSi-O. The serpentine cat' s eye includes two types: chrysotile and antigorite. Chrysotile has a sharp and intensive band at 3 688 cm^-1 and a weak band at 3 643 cm^-1 , while antigorite has only one intensive band in the region. At vibration band VSi-O, chrysotile and antigorite have a similar feature at 1 071 cm^-1, but the band at 980 cm^-1 in anfigorite has been split into two bands in chrysotile - a strong one at 1 027 cm^-1 and a weak one at 949 cm^-1. In addition, antigorite has a characteristic bending vibrating band δMg-O at 570 cm^-1. Based on the analysis of the feature of crystal structure, their IR differences axe well explained.展开更多
The transmission spectra of cubicβ-PbF_(2) crystals grown by non-vacuum Bridgman method were measured with a spectrophotometer.It was found that there are several optical absorption bands peaking at 300 nm,390-400 nm...The transmission spectra of cubicβ-PbF_(2) crystals grown by non-vacuum Bridgman method were measured with a spectrophotometer.It was found that there are several optical absorption bands peaking at 300 nm,390-400 nm,as well as 460 nm.According to composition analysis,doping and annealing experiments,It is suggested that the absorption at 300 nm originate from the electron transition of Ce ions from 4f→5d.The absorption at 390-400 nm may result from the color centers related to oxygen impurities.In addition,the sample recrystallized from the coloredβ-PbF2 crystal exhibits a new absorption band at 460 nm,which might be caused by trace lead vacancies.展开更多
Discussions pertaining to enhancement in the luminous efficiency of cesium iodide(CsI)detectors doped with sodium(Na)abound.In this study,the defect structure of one Cs atom replaced by one Na atom is calculated using...Discussions pertaining to enhancement in the luminous efficiency of cesium iodide(CsI)detectors doped with sodium(Na)abound.In this study,the defect structure of one Cs atom replaced by one Na atom is calculated using the ab initio method.Subsequently,the electronic band structures,densities of states,optical absorption spectra,phonons,and transport properties of CsI in perfect and defective structures are investigated.The absorption spectra of CsI with and without Na impurities are compared.It is discovered that the impurity levels in the forbidden band are generated from the shell electron distributions of the impurity atoms,not from lattice distortions.Furthermore,it is discovered that the optical absorption can be enhanced by doping CsI with Na.展开更多
Optical absorption spectra of the mixed crystals of KBr1-xIx:Tl+ crystals studied at room temperature are reported.The absorption spectra indicated the appearance of additional bands on the low energy side of the Char...Optical absorption spectra of the mixed crystals of KBr1-xIx:Tl+ crystals studied at room temperature are reported.The absorption spectra indicated the appearance of additional bands on the low energy side of the Characteristic A,B and C absorption bands of KBr:Tl+ single crystals with increasing iodine composition.Comparing with earlier reports,the additional bands were attributed to the complex Tl+centers in the mixed configuration surrounded by Br-and I-ions as nearest neighbors.The absorption spectra of gamma irradiated mixed crystals showed F band,which shifts towards low energy side with the composition of iodine ions in the mixed crystals.展开更多
The Malkmus band model has been widely used in remote sensing and climate studies. However, its accuracy is not high. To solve this problem, a modified Malkmus band model was proposed by introducing a correction item....The Malkmus band model has been widely used in remote sensing and climate studies. However, its accuracy is not high. To solve this problem, a modified Malkmus band model was proposed by introducing a correction item. The HITRAN (High-resolution TRANsmission) 2008 database and the atmospheric models provided by the Air Force Geophysics Laboratory (AFGL) were used to calculate the molecular transmittances. By fitting the calculated transmittances to those by MODTRAN (MODerate resolution atmospheric TRANsmission) package with the least-squares method, the fitting coefficients of the correction item were obtained under different atmosphere models. The experimental results show that the root mean square errors (RMSE) of the modified model are significantly less than that of the traditional Malkmus band model by 1-2 orders of magnitude. In addition, the modified method is suitable for different atmospheric models and molecules.展开更多
The donor–acceptor(D–A)copolymers,which exhibit wide broad absorption and intensified light-harvesting,are highly captivating for applications in solar conversion and optoelectronics.However,designing a polymer stru...The donor–acceptor(D–A)copolymers,which exhibit wide broad absorption and intensified light-harvesting,are highly captivating for applications in solar conversion and optoelectronics.However,designing a polymer structure that can achieve these photophysical properties simultaneously remains a challenge.Herein,we report two novel cyanated units 4-cyanobenzo[1,2-b:6,5-b′:3,4-c″]trithiophene(CBT)and 4,6-dicyanobenzo[1,2-b:6,5-b′:3,4-c″]trithiophene(C2BT)and their corresponding polymers,PCBT and PC2BT.Very interestingly,the PC2BT exhibited a broad absorption band with full width at half maxima(FWHM)of its absorption spectra,almost twice wider than PCBT and benchmark polymers PM6 and D18.Moreover,the PC2BT demonstrated intensified light-harvesting and long-lived exciton.Our in-depth investigation unveiled that the presence of dicyano substitutions induced a strong intramolecular charge transfer(ICT),which,in turn,resulted in the formation of favorable photophysical properties.Therefore,PC2BT-based polymer solar cells(PSCs)exhibited an efficiency of 18.06%,which was a record-setting efficiency for cyanated polymers.This study suggests an efficient strategy for enhancing ICT to design polymers toward favorable photophysical properties and excellent photovoltaic performance.展开更多
文摘Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded photonic crystals arranged in a structure composed of periodic and quasi-periodic sequences on a normalized scale.The effective dielectric function,which determines the absorption of the plasma,is subject to the basic parameters of the plasma,causing the absorption of the proposed absorber to be easily modulated by these parameters.Compared with other quasi-periodic sequences,the Octonacci sequence is superior both in relative bandwidth and absolute bandwidth.Under further optimization using IPSO with 14 parameters set to be optimized,the absorption characteristics of the proposed structure with different numbers of layers of the smallest structure unit N are shown and discussed.IPSO is also used to address angular insensitive nonreciprocal ultrawide bandwidth absorption,and the optimized result shows excellent unidirectional absorbability and angular insensitivity of the proposed structure.The impacts of the sequence number of quasi-periodic sequence M and collision frequency of plasma1ν1 to absorption in the angle domain and frequency domain are investigated.Additionally,the impedance match theory and the interference field theory are introduced to express the findings of the algorithm.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10376021 and 10574096).
文摘The integrated intensities of the collision-induced absorption of the V2 band of ^12CH4 perturbed by Ar have been calculated theoretically using the ab initio calculations, and the value of the quadrupole transition moment we obtained is (0/Q/V2) = 5.226ea^2.. The corresponding experimental value obtained from ^12 CH4-Ar spectra is /〈0/Q/V2)/ = 4.931ea^2. Ignoring vibration-rotation interaction and Coriolis interaction, and considering both the theoretical approximations and experimental uncertainties, the agreement can be regarded as good, thus confirming that the enhancement is due to the quadrupole collision-induced mechanism.
文摘The lattice parameters for the derivatives of cadmium telluride,CdTe1-xSbx,with the zinc blend crystal structure are calculated using the generalized gradient approximation method; which is based on the density functional theory (DFT). The effects of antimony (Sb) on the lattices,electric bands,electronic state density,absorption spectroscopy,and band gap between the valence band maximum (VBM) and the conduction band minimum (CBM) of CdTe1-xSbx are discussed. The results show that the antimonic atoms in the lattice are advantageous in promoting the hole concentration and conductivities of CdTe1-xSbx. The increase of the Sb content in CdTe1-xSbx reduces the interaction among Cd,Te,and Sb; resulting in a decreased binding energy within CdTe1-xSbx as well as an increase in the electronic gap. Also discussed are the mechanics for the lattice phase change of CdTe1-xSbx at x=0.5.
文摘The nonlinear absorption properties of direct (GaN) and indirect (CdI2) band gap crystals have been studied by using an open aperture Z-scan technique under fundamental (1064 nm) and frequency doubled (532 nm) wavelength respectively with 10 ns or 60 ps pulse durations. Direct band gap crystal exhibits two and three photon absorption at all input irradiances. On the other hand, at low input irradiance the indirect band gap crystal exhibits saturable absorption (SA). At higher input irradiances two and three photon absorption becomes dominant. A monotonic increase of the nonlinear absorption coefficients with increasing laser pulse duration from 60 ps to 10 ns is observed for GaN and CdI2 crystals.
基金supported by the National Natural Science Foundation of China (20501023)the Natural Science Foundation of Guangdong for Doctorial Training Base (5300527)
文摘Rare earth sulfides were systematically synthesized via the sulfurization of their commercial oxide powders using CS2 gas to shorten sulfurization time, and their UV-vis absorption spectra were investigated. The appropriate sulfurization conditions were studied. For the rare earth sulfides with the same crystal structure, the sulfurization temperature showed increasing tendency with the decrease of rare earth element atomic radii. The UV-vis absorption spectra of rare earth sulfides did not depend on the crystal structure of rare earth sulfides, but on the 4f electronic structure of rare earth element. The data showed that the optical band gaps of rare earth sulfides were irregular, and the values ranged from 1.65 to 3.75 eV.
文摘Photoinduced electron transfer processes between fullerenes (C60 / C70) and N, N, N, N tetra - ( p-methylphenyl ) - 4, 4 diamino - 1, 1- diphenyl ether ( TPDAE ) have been studied by nanosecond laser flash photolysis. Quantum yields and rate constants of electron transfer from TPDAE to excited triplet state of fullerenes (C60 / C70 ) in benzonitrile have been evaluated by observing the transient absorption bands in the near-IR region where the excited triplet state, radical anion of fullerenes ( C60 / C70 ) and radical cations of TPDAE appear.
基金This work was supported by the National Natural Science Foundation of China (No.20273066).
文摘It was reported on the elimination of interfering absorption of BTX. the absorption of O2 includes different absorption bands, which change differently when the partial pressure of oxygen is varied. These cause the nonlinear absorption of O2 and the observed band shape to vary with the column density of O2. The absorption ratios of molecular absorption in each of the Herzberg bands and dimer absorptions, as well as the contribution to the correction error of molecular absorption, are studied based on the characteristic of these absorption bands. The optimized way to eliminate the interfering absorption is obtained in the end and the effectiveness of using interpolation proposed by Volkamer et al. to remove O2 absorption is proved again. As to O2 and SO2, the effect of the thermal effect of characteristic spectra on the elimination error of their absorption is studied. Solutions to these problems are discussed and demonstrated together with methods to optimize the interpolation of spectra. As a sample application, differential optical absorption spectroscopy (DOAS) measurements of BTX are carried out. Results show a low detection limit and the good correlation with point instruments are achieved. All these prove the feasibility of using spectral interpolation to improve the accuracy of DOAS measurements of aromatic hydrocarbons for practical purposes.
基金Supported by the National Natural Science Foundation of China under Grant Nos 10390161 and 30370420.
文摘The optical absorption of GaAs nanorings (NRs) under adc electric field and a terahertz (THz) ac electric field applied in the plane containing the NRs is investigated theoretically. The NRs may enclose some magnetic flux in the presence of a magnetic field perpendicular to the NRs plane. Numerical calculation shows that the excitonic effects are essential to correctly describe the optical absorption in NRs. The applied lateral THz electric field, as well as the dc field leads to reduction, broadening and splitting of the exciton peak. In contrast to the presence of a dc field, significant optical absorption peak arises below the zero-field bandgap in the presence ofa THz electric field at a certain frequency. The optical absorption spectrum depends evidently on the frequency and amplitude of the applied THz field and on the magnetic flux threading the NRs. This promises potential applications of NRs for magneto-optical and THz electro-optical sensing.
文摘Optical absorption properties of electron beam evaporated a-Si films(a-Si_(1-x)Gd_x films)are studied for various composition x.It is shown from the experimental results that variation of chemical composition in this kind of materials will lead to a change in near infrared absorption.For 0.1 at%<x<1.0 at%,the changes of op- tical absorption in the films are more sensitive.The optical band gap narrows with increasing content x from 1.52 to 1.36 eV.Doping Gd element properly will be able to compensate the dangling bonds in a-Si films to improve thermal stability and mechanical properties of a-Si films.
文摘Infrared (IR) absorption spectra and X-ray powder diffraction (XRD) patterrns of sexpenfine cat's eye from Sichuan Province have been investigated, and infrared absorption bands of the serpentine have been assigned in this paper. The results indicate that the bands near 3 600 - 3 700 cm^-1 belong to the stretching absorption band VOH, the bands in 948 - 1 100 cm^-1 axe assigned to the stretching vibraling band Usvo, and the bands at 600 570 and 440 cm^-1 respectively belong to the bending vibration band VOH, δMg-O and δSi-O. The serpentine cat' s eye includes two types: chrysotile and antigorite. Chrysotile has a sharp and intensive band at 3 688 cm^-1 and a weak band at 3 643 cm^-1 , while antigorite has only one intensive band in the region. At vibration band VSi-O, chrysotile and antigorite have a similar feature at 1 071 cm^-1, but the band at 980 cm^-1 in anfigorite has been split into two bands in chrysotile - a strong one at 1 027 cm^-1 and a weak one at 949 cm^-1. In addition, antigorite has a characteristic bending vibrating band δMg-O at 570 cm^-1. Based on the analysis of the feature of crystal structure, their IR differences axe well explained.
基金Supported by the National Natural Science Foundation of China under Grant No.59732040.
文摘The transmission spectra of cubicβ-PbF_(2) crystals grown by non-vacuum Bridgman method were measured with a spectrophotometer.It was found that there are several optical absorption bands peaking at 300 nm,390-400 nm,as well as 460 nm.According to composition analysis,doping and annealing experiments,It is suggested that the absorption at 300 nm originate from the electron transition of Ce ions from 4f→5d.The absorption at 390-400 nm may result from the color centers related to oxygen impurities.In addition,the sample recrystallized from the coloredβ-PbF2 crystal exhibits a new absorption band at 460 nm,which might be caused by trace lead vacancies.
基金supported by the National Natural Science Foundation of China (Nos. 12135004, 11635003, 11961141004, and 11875088)
文摘Discussions pertaining to enhancement in the luminous efficiency of cesium iodide(CsI)detectors doped with sodium(Na)abound.In this study,the defect structure of one Cs atom replaced by one Na atom is calculated using the ab initio method.Subsequently,the electronic band structures,densities of states,optical absorption spectra,phonons,and transport properties of CsI in perfect and defective structures are investigated.The absorption spectra of CsI with and without Na impurities are compared.It is discovered that the impurity levels in the forbidden band are generated from the shell electron distributions of the impurity atoms,not from lattice distortions.Furthermore,it is discovered that the optical absorption can be enhanced by doping CsI with Na.
基金the All India Council for Technical Education (AICTE),New Delhi,India for granting funds for this investigation under TAPTEC scheme vide project File(No.8018/RDII/BOR/TAP(371)/99-2000)
文摘Optical absorption spectra of the mixed crystals of KBr1-xIx:Tl+ crystals studied at room temperature are reported.The absorption spectra indicated the appearance of additional bands on the low energy side of the Characteristic A,B and C absorption bands of KBr:Tl+ single crystals with increasing iodine composition.Comparing with earlier reports,the additional bands were attributed to the complex Tl+centers in the mixed configuration surrounded by Br-and I-ions as nearest neighbors.The absorption spectra of gamma irradiated mixed crystals showed F band,which shifts towards low energy side with the composition of iodine ions in the mixed crystals.
基金Projects(U1231105,41404013)supported by the National Natural Science Foundation of ChinaProject(2012AA121301)supported by the National Hi-tech Research and Development Program of China
文摘The Malkmus band model has been widely used in remote sensing and climate studies. However, its accuracy is not high. To solve this problem, a modified Malkmus band model was proposed by introducing a correction item. The HITRAN (High-resolution TRANsmission) 2008 database and the atmospheric models provided by the Air Force Geophysics Laboratory (AFGL) were used to calculate the molecular transmittances. By fitting the calculated transmittances to those by MODTRAN (MODerate resolution atmospheric TRANsmission) package with the least-squares method, the fitting coefficients of the correction item were obtained under different atmosphere models. The experimental results show that the root mean square errors (RMSE) of the modified model are significantly less than that of the traditional Malkmus band model by 1-2 orders of magnitude. In addition, the modified method is suitable for different atmospheric models and molecules.
基金supported by the National Natural Science Foundation of China(grant nos.22179076 and 22225504)the Department of Education of Guangdong Province,China(grant no.2021KCXTD032)+2 种基金the Natural Science Foundation of Guangdong Province,China(grant no.2022A1515011803)the Science and Technology Innovation Fund for College students in Guangdong Province,China(grant no.2020329105600A000003)Guangdong Provincial Key Laboratory of Catalysis,China(grant no.2020B121201002).
文摘The donor–acceptor(D–A)copolymers,which exhibit wide broad absorption and intensified light-harvesting,are highly captivating for applications in solar conversion and optoelectronics.However,designing a polymer structure that can achieve these photophysical properties simultaneously remains a challenge.Herein,we report two novel cyanated units 4-cyanobenzo[1,2-b:6,5-b′:3,4-c″]trithiophene(CBT)and 4,6-dicyanobenzo[1,2-b:6,5-b′:3,4-c″]trithiophene(C2BT)and their corresponding polymers,PCBT and PC2BT.Very interestingly,the PC2BT exhibited a broad absorption band with full width at half maxima(FWHM)of its absorption spectra,almost twice wider than PCBT and benchmark polymers PM6 and D18.Moreover,the PC2BT demonstrated intensified light-harvesting and long-lived exciton.Our in-depth investigation unveiled that the presence of dicyano substitutions induced a strong intramolecular charge transfer(ICT),which,in turn,resulted in the formation of favorable photophysical properties.Therefore,PC2BT-based polymer solar cells(PSCs)exhibited an efficiency of 18.06%,which was a record-setting efficiency for cyanated polymers.This study suggests an efficient strategy for enhancing ICT to design polymers toward favorable photophysical properties and excellent photovoltaic performance.