We find that effects resulting from micro/nano scale structures can regulate space charges which excite and lead to the special electric field distribution featuring the flux convergence band structure. It is here ref...We find that effects resulting from micro/nano scale structures can regulate space charges which excite and lead to the special electric field distribution featuring the flux convergence band structure. It is here referred to as the polarization band effect, which stems from the specific field-induced interactions among atoms and molecules. The micro/nanoelectrode array structures were designed and fabricated using the non-silicon micro/nano processing technology, forming micro/nano electrode arrays-based plasma microelectromechanical systems(NPMEMS). The integrated NPMEMS device can be used to regulate the inner energy states of matters and generate plasma based on the polarization band effect, all within a single chip-size limited local area or extending into a large volume space with the deployment of a distributed array of multiple devices. Its special physical and chemical properties can be utilized to greatly improve the efficiency of potential application systems or solve mechanism-level challenges in plasma-related applications of multiple fields.展开更多
Laser ablated boron atoms have been reacted with hydrogen sulfide and the reaction products condensed with argon at 4 K, which gave BS2, BS2-, HSBS, and HBS molecules. Reagent isotopic substitution (H2S, H234S, D2S, ...Laser ablated boron atoms have been reacted with hydrogen sulfide and the reaction products condensed with argon at 4 K, which gave BS2, BS2-, HSBS, and HBS molecules. Reagent isotopic substitution (H2S, H234S, D2S, 10 B, 11B) and variation of boron and hydrogen sulfide concentrations have been used to identify the major products. Both BS2-- and BS2 were identified as linear molecules with no significant difference in the structure parameters, but the B-S anti-symmetric stretching vibration of BS2 is significantly lower than that of BS2-, which is ascribed to pseudo Jahn-Teller effect. Theoretical calculation was employed to have an insight into the interaction nature of the bonds in the corresponding products.展开更多
Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attr...Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.展开更多
Laser-assisted simulation technique has played a crucial role in the investigation of dose rate effects of silicon-based devices and integrated circuits,due to its exceptional advantages in terms of flexibility,safety...Laser-assisted simulation technique has played a crucial role in the investigation of dose rate effects of silicon-based devices and integrated circuits,due to its exceptional advantages in terms of flexibility,safety,convenience,and precision.In recent years,wide band gap materials,known for their strong bonding and high ionization energy,have gained increasing attention from researchers and hold significant promise for extensive applications in specialized environments.Consequently,there is a growing need for comprehensive research on the dose rate effects of wide band gap materials.In response to this need,the use of laser-assisted simulation technology has emerged as a promising approach,offering an effective means to assess the efficacy of investigating these materials and devices.This paper focused on investigating the feasibility of laser-assisted simulation to study the dose rate effects of wide band gap semiconductor devices.Theoretical conversion factors for laser-assisted simulation of dose rate effects of GaN-based and SiC-based devices were been provided.Moreover,to validate the accuracy of the conversion factors,pulsed laser and dose rate experiments were conducted on GaN-based and SiC-based PIN diodes.The results demonstrate that pulsed laser radiation andγ-ray radiation can produce highly similar photocurrent responses in GaN-based and SiC-based PIN diodes,with correlation coefficients of 0.98 and 0.974,respectively.This finding reaffirms the effectiveness of laser-assisted simulation technology,making it a valuable complement in studying the dose rate effects of wide band gap semiconductor devices.展开更多
Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is a...Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is also found to influence the study of exciton ground state energy and ground state binding energy in Al_(x)Ga_(1−x)As semiconductor spherical quantum dots.The Al_(x)Ga_(1−x)As is considered to be a direct semiconductor at AI concentration below 0.45,and an indirect one at the concentration above 0.45.With regards to the former,the ground state binding energy increases and decreases with AI concentration and eigenfrequency,respectively;however,while the ground state energy increases with AI concentration,it is marginally influenced by eigenfrequency.On the other hand,considering the latter,while the ground state binding energy increases with AI concentration,it decreases with eigenfrequency;nevertheless,the ground state energy increases both with AI concentration and eigenfrequency.Hence,for the better practical performance of the semiconductors,the properties of the excitons are suggested to vary by adjusting AI concentration and eigenfrequency.展开更多
The goal of this brief partly review paper is to summarize the results of the works published over the last few years regarding the origin of the out-of-plane distortions (puckering) of heterocyclic compounds. In all ...The goal of this brief partly review paper is to summarize the results of the works published over the last few years regarding the origin of the out-of-plane distortions (puckering) of heterocyclic compounds. In all the papers devoted to this problem, it is shown that the instability of planar configurations of heterocyclic molecules leading to symmetry breaking and distortions is induced by the pseudo Jahn-Teller effect (PJTE). Special attention in this work is paid to the mechanism of suppression and enhancement of the PJTE distortions of heterocycles by oxidation, reduction, and chemical substitutions. It is demonstrated that oxidation of 1,4-dithiine containing compounds leads to suppression of the PJTE and to restoration of their planar nuclear configurations. An example of a dibenzo[1,2]dithiine molecule is used to demonstrate the mechanism of enhancement of the PJTE by reduction. It is shown that the reduction of the neutral C12H8S2 molecule up to the dianion (C12H8S2)2- enhances the PJTE, followed by the S-S bond cleavage and significant structural distortions of the system. The change of the PJTE by chemical substitutions, accompanied either by puckering or by planarization of heterocyclic compounds, is discussed using as examples 1,4-ditinine and its S-oxygenated derivatives.展开更多
Objective:To explore the implementation of gastrointestinal endoscopy technology and endoscopic narrow-band imaging(NBI)in the early screening of gastric cancer and to observe and study their application effects.Metho...Objective:To explore the implementation of gastrointestinal endoscopy technology and endoscopic narrow-band imaging(NBI)in the early screening of gastric cancer and to observe and study their application effects.Methods:During the period from March 2023 to August 2023,312 patients who received gastroscopy in the Kunming Guandu District People’s Hospital were selected,and they underwent both conventional gastroscopy and endoscopic NBI,with clinicopathological tissue biopsy serving as the gold standard.The application value for early screening of gastric cancer was observed and analyzed.Results:The scoring data showed that the clarity of gastric mucosal glandular tube structure,microvascular structure clarity,and lesion contour scoring data of conventional gastroscopy were lower than those of the NBI technology(P<0.05).The screening rate of pathological biopsy in 312 patients was 18.59%(58 cases).Conventional gastroscopy showed a screening rate of 11.53%(36 cases),while NBI technology examined a screening rate of 17.63%(55 cases),and the two-by-two comparison of the screening rate data of the three groups was not statistically significant(P>0.05).The sensitivity,specificity,accuracy,positive predictive value,and negative predictive value of conventional gastroscopy appeared to be lower than those of NBI technology(P<0.05).Conclusion:In the early screening of gastric cancer,endoscopic NBI technology can be applied to patients.Compared with conventional gastroscopy,it provides a clearer visualization of the structure of the gastric mucosal glandular structure and microvascular structure,with a certain screening rate.Additionally,its sensitivity,specificity,accuracy,positive predictive value,and negative predictive value are higher,demonstrating outstanding effectiveness.展开更多
With the pedagogical reformation of College English,the syllabus of College English Test Band 4 has been revised with the purpose of putting emphasis on listening tests so that it can have the positive washback effect...With the pedagogical reformation of College English,the syllabus of College English Test Band 4 has been revised with the purpose of putting emphasis on listening tests so that it can have the positive washback effect on ELT.While language testing is a crucial means to measure the effectiveness of foreign language teaching and learning,this paper will analyze the old and new format of CET Band 4 to see if the new one will promote the development of listening ability and whether it produces the positive washback effect on ELT.展开更多
Considering the dielectric confinement effect on excitonics of PbSe quantum dots (QDs), a correction factor in the wave function was introduced to propose a new band gap calculation model for QDs. The modified model...Considering the dielectric confinement effect on excitonics of PbSe quantum dots (QDs), a correction factor in the wave function was introduced to propose a new band gap calculation model for QDs. The modified model showed great consistency with the experimental data, especially in small size range. According to the variation of confined barrier, the band gap calculation model of PbSe QDs was analyzed in different solvents. The calculating results showed that the modified model was almost solvent-independent, which was consistent with our experimental results and related reports.展开更多
This paper presents a theoretical model for the size-dependent band structure of magneto-elastic phononic crystal(PC)nanoplates according to the Kirchhoff plate theory and Gurtin-Murdoch theory,in which the surface ef...This paper presents a theoretical model for the size-dependent band structure of magneto-elastic phononic crystal(PC)nanoplates according to the Kirchhoff plate theory and Gurtin-Murdoch theory,in which the surface effect and magneto-elastic coupling are considered.By introducing the nonlinear coupling constitutive relation of magnetostrictive materials,Terfenol-D/epoxy PC nanoplates are carried out as an example to investigate the dependence of the band structure on the surface effect,magnetic field,pre-stress,and geometric parameters.The results show that the surface effect has promotive influence on dispersion curves of the band structure,and the band gaps can be improved gradually with the increase in the material intrinsic length.Meanwhile,the band gaps exhibit obvious nonlinear coupling characteristics owing to the competition between the magnetic field and the pre-stress.By considering the surface effect and magneto-elastic coupling,the open and closed points of band gaps are found when the lattice constant to thickness ratio increases.The study may provide a method for flexible tunability of elastic wave propagation in magneto-elastic PC nanoplates and functional design of highperformance nanoplate-based devices.展开更多
A new model is proposed for determining the band gaps of flexural wave propagation in periodic fluid-filled micropipes with circular and square thin-wall cross-sectional shapes, which incorporates temperature, microst...A new model is proposed for determining the band gaps of flexural wave propagation in periodic fluid-filled micropipes with circular and square thin-wall cross-sectional shapes, which incorporates temperature, microstructure, and surface energy effects. The band gaps depend on the thin-wall cross-sectional shape, the microstructure and surface elastic material constants, the pipe wall thickness, the unit cell length, the volume fraction, the fluid velocity in the pipe, the temperature change,and the thermal expansion coefficient. A systematic parametric study is conducted to quantitatively illustrate these factors. The numerical results show that the band gap frequencies of the current non-classical model with both circular and square thin-wall cross-sectional shapes are always higher than those of the classical model. In addition,the band gap size and frequency decrease with the increase of the unit cell length according to all the cases. Moreover, the large band gaps can be obtained by tailoring these factors.展开更多
The effect of the valence band tail width on the open circuit voltage of P3HT:PCBM bulk heterojunction solar cell is investigated by using the AMPS-1D computer program. An effective medium model with exponential vale...The effect of the valence band tail width on the open circuit voltage of P3HT:PCBM bulk heterojunction solar cell is investigated by using the AMPS-1D computer program. An effective medium model with exponential valence and conduction band tail states is used to simulate the photovoltaic cell. The simulation result shows that the open circuit voltage depends Iinearly on the logarithm of the generation rate and the slope depends on the width of the valence band tail. The open circuit voltage decreases with the increasing width of the band tail. The dark and light ideality factors increase with the width of the valence band tail.展开更多
Co-N-C is a promising oxygen electrochemical catalyst due to its high stability and good durability.However,due to the limited adsorption ability improvement for oxygen-containing intermediates,it usually exhibits ina...Co-N-C is a promising oxygen electrochemical catalyst due to its high stability and good durability.However,due to the limited adsorption ability improvement for oxygen-containing intermediates,it usually exhibits inadequate catalytic activity with 2-electron pathway and high selectivity of hydrogen peroxide.Herein,the adsorption of Co-N-C to these intermediates is modulated by constructing heterostructures using transition metals and their derivatives based on d-band theory.The heterostructured nanobelts with MoC core and pomegranate-like carbon shell consisting of Co nanoparticles and N dopant(MoC/Co-N-C)are engineered to successfully modulate the d band center of active Co-N-C sites,resulting in a remarkably enhanced electrocatalysis performance.The optimally performing MoC/Co-N-C exhibits outstanding bi-catalytic activity and stability for the oxygen electrochemistry,featuring a high wave-half potential of 0.865 V for the oxygen reduction reaction(ORR)and low overpotential of 370 mV for the oxygen evolution reaction(OER)at 10 mA cm^(-2).The zinc air batteries with the MoC/Co-N-C catalyst demonstrate a large power density of 180 mW cm^(-2)and a long cycling lifespan(2000 cycles).The density functional theory calculations with Hubbard correction(DFT+U)reveal the electron transferring from Co to Mo atoms that effectively modulate the d band center of the active Co sites and achieve optimum adsorption ability with"single site double adsorption"mode.展开更多
The ordered double perovskites, Sr2-xLaxMnMoO6, were prepared by sol-gel reaction. Structural, magnetic, and electrical properties were investigated for a series of ordered double perovskites Sr2- x Lax MnMoO6 (0 ≤...The ordered double perovskites, Sr2-xLaxMnMoO6, were prepared by sol-gel reaction. Structural, magnetic, and electrical properties were investigated for a series of ordered double perovskites Sr2- x Lax MnMoO6 (0 ≤ x ≤ 1 ). The compounds have a monoclinic structure (space group P21/n) and the cell volume expands monotonically with La doping. The Tc and the magnetic moment rise and the cusp-like transition temperature below which the magnetic frustration occurs shifts to high temperature as x increases. With La doping, electrical resistivity of Sr2-x LaxMnMoO6 decreases only at low doping levels (x ≤0.2); while at high doping levels (0.8≤x ≤1), electrical resistivity tends to increase greatly. The resuits suggest that the competition between band filling effect and steric effect coexists in the whole doping range, and the formation of ferrimagnetic interactions is not simply at the expense of antiferromagnetic interactions.展开更多
As a low-bandgap ferroelectric material, BiFeO3 has gained wide attention for the potential photovoltaic applications,since its photovoltaic effect in visible light range was reported in 2009. In the present work, Bi...As a low-bandgap ferroelectric material, BiFeO3 has gained wide attention for the potential photovoltaic applications,since its photovoltaic effect in visible light range was reported in 2009. In the present work, Bi(Fe, Mn)O3thin films are fabricated by pulsed laser deposition method, and the effects of Mn doping on the microstructure, optical, leakage,ferroelectric and photovoltaic characteristics of Bi(Fe, Mn)O3 thin films are systematically investigated. The x-ray diffraction data indicate that Bi(Fe, Mn)O3 thin films each have a rhombohedrally distorted perovskite structure. From the light absorption results, it follows that the band gap of Bi(Fe, Mn)O3 thin films can be tuned by doping different amounts of Mn content. More importantly, photovoltaic measurement demonstrates that the short-circuit photocurrent density and the open-circuit voltage can both be remarkably improved through doping an appropriate amount of Mn content, leading to the fascinating fact that the maximum power output of ITO/BiFe(0.7)Mn(0.3)O3/Nb-STO capacitor is about 175 times higher than that of ITO/BiFeO3/Nb-STO capacitor. The improvement of photovoltaic response in Bi(Fe, Mn)O3 thin film can be reasonably explained as being due to absorbing more visible light through bandgap engineering and maintaining the ferroelectric property at the same time.展开更多
Both the band filling effect and Fe/Mo disorder have a close correlation with the physical properties of the double perovskite Ca2FeMoO6. Two series of Ca2FeMoO6and Nd0.3Ca1.7FeMoO6ceramics sintered at(1050℃, 1200℃,...Both the band filling effect and Fe/Mo disorder have a close correlation with the physical properties of the double perovskite Ca2FeMoO6. Two series of Ca2FeMoO6and Nd0.3Ca1.7FeMoO6ceramics sintered at(1050℃, 1200℃, and 1300℃) were specially designed to comparatively investigate the band-filling effect and Fe/Mo disorder on the physical properties of Ca2FeMoO6. The x-ray diffraction indicates that Fe/Mo disorder is sensitive to the sintering temperature. The magnetization behavior is mainly controlled by the Fe/Mo disorder not by the band filling effect, manifested by a close correlation of saturated magnetization(Ms) with the Fe/Mo disorder. Interestingly, magnetoresistance(MR) property of the same composition is dominantly contributed by the grain boundary strength, which can be expressed by the macroscopic resistivity values. However, the band filling effect caused by the Nd-substitution can decrease the spin polarization, and thus suppress the MR performance fundamentally. Contrary to the MR response, the Curie temperature(TC) shows an obvious optimization due to the band filling effect, which increases the carrier density near the Fermi level responsible for the ferromagnetic coupling interaction strengthen. Maybe, our work can provoke further research interests into the correlation of the band-filling effects and Fe/Mo disorder with the physical properties of other Fe/Mo-based double perovskites.展开更多
After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k·p method. In the paper we calculate the accurate anisotropy valance bands and the splitti...After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k·p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states (DOS) effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal-oxide semiconductor field effect transistor (MOSFET). It also a provides valuable reference for biaxial tensile strained silicon MOSFET design.展开更多
By exact resolution of coupled ideal chains connecting an extra side site,we show that the so-called'anti-resonant effect' is suppressed when the electron energy is inside the overlap region of extended bands ...By exact resolution of coupled ideal chains connecting an extra side site,we show that the so-called'anti-resonant effect' is suppressed when the electron energy is inside the overlap region of extended bands of the idealtight-binding chains.When the electronic energy is outside the band overlap region,the existence of 'anti-resonanteffect' is tuned by details of local connectivity around the extra side site and can be suppressed by introduction ofmagnetic flux.展开更多
基金supported by the National Natural Science Foundationof China(60906053,61204069,61274118,61306144,61504079,and 11605112)Scientific and Innovative Action Plan of Shanghai(15DZ1160800 and 17XD1702400)National Key Research&Development(R&D)Program of China(Grant No.SQ2023YFC2600062).
文摘We find that effects resulting from micro/nano scale structures can regulate space charges which excite and lead to the special electric field distribution featuring the flux convergence band structure. It is here referred to as the polarization band effect, which stems from the specific field-induced interactions among atoms and molecules. The micro/nanoelectrode array structures were designed and fabricated using the non-silicon micro/nano processing technology, forming micro/nano electrode arrays-based plasma microelectromechanical systems(NPMEMS). The integrated NPMEMS device can be used to regulate the inner energy states of matters and generate plasma based on the polarization band effect, all within a single chip-size limited local area or extending into a large volume space with the deployment of a distributed array of multiple devices. Its special physical and chemical properties can be utilized to greatly improve the efficiency of potential application systems or solve mechanism-level challenges in plasma-related applications of multiple fields.
文摘Laser ablated boron atoms have been reacted with hydrogen sulfide and the reaction products condensed with argon at 4 K, which gave BS2, BS2-, HSBS, and HBS molecules. Reagent isotopic substitution (H2S, H234S, D2S, 10 B, 11B) and variation of boron and hydrogen sulfide concentrations have been used to identify the major products. Both BS2-- and BS2 were identified as linear molecules with no significant difference in the structure parameters, but the B-S anti-symmetric stretching vibration of BS2 is significantly lower than that of BS2-, which is ascribed to pseudo Jahn-Teller effect. Theoretical calculation was employed to have an insight into the interaction nature of the bonds in the corresponding products.
基金the National Key Basic Research Program of China(Grant No.2022YFA1404800)the National Natural Science Foundation of China(Grant Nos.12234007 and 12221004)supported by Science and Technology Commission of Shanghai Municipality,China(Grant Nos.19XD1434600,2019SHZDZX01,19DZ2253000,20501110500,and 21DZ1101500)。
文摘Periodic photonic structures can provide rich modulation in propagation of light due to well-defined band structures.Especially near band edges,light localization and the effect of near-zero refractive index have attracted wide attention.However,the practically fabricated structures can only have finite size,i.e.,limited numbers of periods,leading to changes of the light propagation modulation compared with infinite structures.Here,we study the size effect on light localization and near-zero refractive-index propagation near band edges in one-dimensional periodic structures.Near edges of the band gap,as the structure's size shrinks,the broadening of the band gap and the weakening of the light localization are discovered.When the size is small,an added layer on the surface will perform large modulation in the group velocity.Near the degenerate point with Dirac-like dispersion,the zero-refractive-index effects like the zero-phase difference and near-unity transmittance retain as the size changes,while absolute group velocity fluctuates when the size shrinks.
基金National Natural Science Foundation of China(12205028)Natural Science Foundation of Sichuan Province(2022NSFSC1235)Young and Middle-aged Backbone Teacher Foundation of Chengdu University of Technology(10912-JXGG2022-08363)。
文摘Laser-assisted simulation technique has played a crucial role in the investigation of dose rate effects of silicon-based devices and integrated circuits,due to its exceptional advantages in terms of flexibility,safety,convenience,and precision.In recent years,wide band gap materials,known for their strong bonding and high ionization energy,have gained increasing attention from researchers and hold significant promise for extensive applications in specialized environments.Consequently,there is a growing need for comprehensive research on the dose rate effects of wide band gap materials.In response to this need,the use of laser-assisted simulation technology has emerged as a promising approach,offering an effective means to assess the efficacy of investigating these materials and devices.This paper focused on investigating the feasibility of laser-assisted simulation to study the dose rate effects of wide band gap semiconductor devices.Theoretical conversion factors for laser-assisted simulation of dose rate effects of GaN-based and SiC-based devices were been provided.Moreover,to validate the accuracy of the conversion factors,pulsed laser and dose rate experiments were conducted on GaN-based and SiC-based PIN diodes.The results demonstrate that pulsed laser radiation andγ-ray radiation can produce highly similar photocurrent responses in GaN-based and SiC-based PIN diodes,with correlation coefficients of 0.98 and 0.974,respectively.This finding reaffirms the effectiveness of laser-assisted simulation technology,making it a valuable complement in studying the dose rate effects of wide band gap semiconductor devices.
基金supported by the National Natural Science Foundation of China(Nos.12164032 and 11964026)the Natural Science Foundation of Inner Mongolia(No.2019MS01010)+3 种基金Scientific Research Projects in Colleges and Universities in Inner Mongolia(No.NJZZ19145)Graduate Science Innovative Research Projects(No.S20210281Z)the Natural Science Foundation of Inner Mongolia(No.2022MS01014)Doctor Research Start-up Fund of Inner Mongolia Minzu University(No.BS625).
文摘Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is also found to influence the study of exciton ground state energy and ground state binding energy in Al_(x)Ga_(1−x)As semiconductor spherical quantum dots.The Al_(x)Ga_(1−x)As is considered to be a direct semiconductor at AI concentration below 0.45,and an indirect one at the concentration above 0.45.With regards to the former,the ground state binding energy increases and decreases with AI concentration and eigenfrequency,respectively;however,while the ground state energy increases with AI concentration,it is marginally influenced by eigenfrequency.On the other hand,considering the latter,while the ground state binding energy increases with AI concentration,it decreases with eigenfrequency;nevertheless,the ground state energy increases both with AI concentration and eigenfrequency.Hence,for the better practical performance of the semiconductors,the properties of the excitons are suggested to vary by adjusting AI concentration and eigenfrequency.
文摘The goal of this brief partly review paper is to summarize the results of the works published over the last few years regarding the origin of the out-of-plane distortions (puckering) of heterocyclic compounds. In all the papers devoted to this problem, it is shown that the instability of planar configurations of heterocyclic molecules leading to symmetry breaking and distortions is induced by the pseudo Jahn-Teller effect (PJTE). Special attention in this work is paid to the mechanism of suppression and enhancement of the PJTE distortions of heterocycles by oxidation, reduction, and chemical substitutions. It is demonstrated that oxidation of 1,4-dithiine containing compounds leads to suppression of the PJTE and to restoration of their planar nuclear configurations. An example of a dibenzo[1,2]dithiine molecule is used to demonstrate the mechanism of enhancement of the PJTE by reduction. It is shown that the reduction of the neutral C12H8S2 molecule up to the dianion (C12H8S2)2- enhances the PJTE, followed by the S-S bond cleavage and significant structural distortions of the system. The change of the PJTE by chemical substitutions, accompanied either by puckering or by planarization of heterocyclic compounds, is discussed using as examples 1,4-ditinine and its S-oxygenated derivatives.
文摘Objective:To explore the implementation of gastrointestinal endoscopy technology and endoscopic narrow-band imaging(NBI)in the early screening of gastric cancer and to observe and study their application effects.Methods:During the period from March 2023 to August 2023,312 patients who received gastroscopy in the Kunming Guandu District People’s Hospital were selected,and they underwent both conventional gastroscopy and endoscopic NBI,with clinicopathological tissue biopsy serving as the gold standard.The application value for early screening of gastric cancer was observed and analyzed.Results:The scoring data showed that the clarity of gastric mucosal glandular tube structure,microvascular structure clarity,and lesion contour scoring data of conventional gastroscopy were lower than those of the NBI technology(P<0.05).The screening rate of pathological biopsy in 312 patients was 18.59%(58 cases).Conventional gastroscopy showed a screening rate of 11.53%(36 cases),while NBI technology examined a screening rate of 17.63%(55 cases),and the two-by-two comparison of the screening rate data of the three groups was not statistically significant(P>0.05).The sensitivity,specificity,accuracy,positive predictive value,and negative predictive value of conventional gastroscopy appeared to be lower than those of NBI technology(P<0.05).Conclusion:In the early screening of gastric cancer,endoscopic NBI technology can be applied to patients.Compared with conventional gastroscopy,it provides a clearer visualization of the structure of the gastric mucosal glandular structure and microvascular structure,with a certain screening rate.Additionally,its sensitivity,specificity,accuracy,positive predictive value,and negative predictive value are higher,demonstrating outstanding effectiveness.
文摘With the pedagogical reformation of College English,the syllabus of College English Test Band 4 has been revised with the purpose of putting emphasis on listening tests so that it can have the positive washback effect on ELT.While language testing is a crucial means to measure the effectiveness of foreign language teaching and learning,this paper will analyze the old and new format of CET Band 4 to see if the new one will promote the development of listening ability and whether it produces the positive washback effect on ELT.
文摘Considering the dielectric confinement effect on excitonics of PbSe quantum dots (QDs), a correction factor in the wave function was introduced to propose a new band gap calculation model for QDs. The modified model showed great consistency with the experimental data, especially in small size range. According to the variation of confined barrier, the band gap calculation model of PbSe QDs was analyzed in different solvents. The calculating results showed that the modified model was almost solvent-independent, which was consistent with our experimental results and related reports.
基金Project supported by the National Natural Science Foundation of China(No.12002179)the Ningxia Key Research and Development Program(Special Talents)(No.2020BEB04001)the Natural Science Foundation of Ningxia of China(No.2021AAC03037)。
文摘This paper presents a theoretical model for the size-dependent band structure of magneto-elastic phononic crystal(PC)nanoplates according to the Kirchhoff plate theory and Gurtin-Murdoch theory,in which the surface effect and magneto-elastic coupling are considered.By introducing the nonlinear coupling constitutive relation of magnetostrictive materials,Terfenol-D/epoxy PC nanoplates are carried out as an example to investigate the dependence of the band structure on the surface effect,magnetic field,pre-stress,and geometric parameters.The results show that the surface effect has promotive influence on dispersion curves of the band structure,and the band gaps can be improved gradually with the increase in the material intrinsic length.Meanwhile,the band gaps exhibit obvious nonlinear coupling characteristics owing to the competition between the magnetic field and the pre-stress.By considering the surface effect and magneto-elastic coupling,the open and closed points of band gaps are found when the lattice constant to thickness ratio increases.The study may provide a method for flexible tunability of elastic wave propagation in magneto-elastic PC nanoplates and functional design of highperformance nanoplate-based devices.
基金the National Key R&D Program of China(No.2018YFD1100401)the National Natural Science Foundation of China(Nos.12002086,11872149,and 11772091)。
文摘A new model is proposed for determining the band gaps of flexural wave propagation in periodic fluid-filled micropipes with circular and square thin-wall cross-sectional shapes, which incorporates temperature, microstructure, and surface energy effects. The band gaps depend on the thin-wall cross-sectional shape, the microstructure and surface elastic material constants, the pipe wall thickness, the unit cell length, the volume fraction, the fluid velocity in the pipe, the temperature change,and the thermal expansion coefficient. A systematic parametric study is conducted to quantitatively illustrate these factors. The numerical results show that the band gap frequencies of the current non-classical model with both circular and square thin-wall cross-sectional shapes are always higher than those of the classical model. In addition,the band gap size and frequency decrease with the increase of the unit cell length according to all the cases. Moreover, the large band gaps can be obtained by tailoring these factors.
文摘The effect of the valence band tail width on the open circuit voltage of P3HT:PCBM bulk heterojunction solar cell is investigated by using the AMPS-1D computer program. An effective medium model with exponential valence and conduction band tail states is used to simulate the photovoltaic cell. The simulation result shows that the open circuit voltage depends Iinearly on the logarithm of the generation rate and the slope depends on the width of the valence band tail. The open circuit voltage decreases with the increasing width of the band tail. The dark and light ideality factors increase with the width of the valence band tail.
基金financially supported by the National Natural Science Foundation of China(No.21975163)the Shenzhen Innovative Research Team Program(KQTD20190929173914967)the Senior Talent Research Start-up Fund of Shenzhen University(000265)。
文摘Co-N-C is a promising oxygen electrochemical catalyst due to its high stability and good durability.However,due to the limited adsorption ability improvement for oxygen-containing intermediates,it usually exhibits inadequate catalytic activity with 2-electron pathway and high selectivity of hydrogen peroxide.Herein,the adsorption of Co-N-C to these intermediates is modulated by constructing heterostructures using transition metals and their derivatives based on d-band theory.The heterostructured nanobelts with MoC core and pomegranate-like carbon shell consisting of Co nanoparticles and N dopant(MoC/Co-N-C)are engineered to successfully modulate the d band center of active Co-N-C sites,resulting in a remarkably enhanced electrocatalysis performance.The optimally performing MoC/Co-N-C exhibits outstanding bi-catalytic activity and stability for the oxygen electrochemistry,featuring a high wave-half potential of 0.865 V for the oxygen reduction reaction(ORR)and low overpotential of 370 mV for the oxygen evolution reaction(OER)at 10 mA cm^(-2).The zinc air batteries with the MoC/Co-N-C catalyst demonstrate a large power density of 180 mW cm^(-2)and a long cycling lifespan(2000 cycles).The density functional theory calculations with Hubbard correction(DFT+U)reveal the electron transferring from Co to Mo atoms that effectively modulate the d band center of the active Co sites and achieve optimum adsorption ability with"single site double adsorption"mode.
基金Project supported bythe National Natural Science Foundation of China (50073024 ,90101001) the Special Funds for MajorState Basic Research Projects (G1999064800) +1 种基金the Project fromthe Chinese Academy of Sciences (KJCX2-SW-H07) the In-ternational Collaboration Project from Changchun City ,China (04-03GH268)
文摘The ordered double perovskites, Sr2-xLaxMnMoO6, were prepared by sol-gel reaction. Structural, magnetic, and electrical properties were investigated for a series of ordered double perovskites Sr2- x Lax MnMoO6 (0 ≤ x ≤ 1 ). The compounds have a monoclinic structure (space group P21/n) and the cell volume expands monotonically with La doping. The Tc and the magnetic moment rise and the cusp-like transition temperature below which the magnetic frustration occurs shifts to high temperature as x increases. With La doping, electrical resistivity of Sr2-x LaxMnMoO6 decreases only at low doping levels (x ≤0.2); while at high doping levels (0.8≤x ≤1), electrical resistivity tends to increase greatly. The resuits suggest that the competition between band filling effect and steric effect coexists in the whole doping range, and the formation of ferrimagnetic interactions is not simply at the expense of antiferromagnetic interactions.
基金supported by the National Natural Science Foundation of China(Grant Nos.11274322,51402318,61404080,and 61675066)the National Key Technology Research and Development Program of China(Grant No.2016YFA0201102)the China Postdoctoral Science Foundation(Grant No.2016LH0050)
文摘As a low-bandgap ferroelectric material, BiFeO3 has gained wide attention for the potential photovoltaic applications,since its photovoltaic effect in visible light range was reported in 2009. In the present work, Bi(Fe, Mn)O3thin films are fabricated by pulsed laser deposition method, and the effects of Mn doping on the microstructure, optical, leakage,ferroelectric and photovoltaic characteristics of Bi(Fe, Mn)O3 thin films are systematically investigated. The x-ray diffraction data indicate that Bi(Fe, Mn)O3 thin films each have a rhombohedrally distorted perovskite structure. From the light absorption results, it follows that the band gap of Bi(Fe, Mn)O3 thin films can be tuned by doping different amounts of Mn content. More importantly, photovoltaic measurement demonstrates that the short-circuit photocurrent density and the open-circuit voltage can both be remarkably improved through doping an appropriate amount of Mn content, leading to the fascinating fact that the maximum power output of ITO/BiFe(0.7)Mn(0.3)O3/Nb-STO capacitor is about 175 times higher than that of ITO/BiFeO3/Nb-STO capacitor. The improvement of photovoltaic response in Bi(Fe, Mn)O3 thin film can be reasonably explained as being due to absorbing more visible light through bandgap engineering and maintaining the ferroelectric property at the same time.
基金Project supported by the National Natural Science Foundation of China(Grant No.U1504107)the Doctoral Scientific Research Foundation(Grant No.qd15214)
文摘Both the band filling effect and Fe/Mo disorder have a close correlation with the physical properties of the double perovskite Ca2FeMoO6. Two series of Ca2FeMoO6and Nd0.3Ca1.7FeMoO6ceramics sintered at(1050℃, 1200℃, and 1300℃) were specially designed to comparatively investigate the band-filling effect and Fe/Mo disorder on the physical properties of Ca2FeMoO6. The x-ray diffraction indicates that Fe/Mo disorder is sensitive to the sintering temperature. The magnetization behavior is mainly controlled by the Fe/Mo disorder not by the band filling effect, manifested by a close correlation of saturated magnetization(Ms) with the Fe/Mo disorder. Interestingly, magnetoresistance(MR) property of the same composition is dominantly contributed by the grain boundary strength, which can be expressed by the macroscopic resistivity values. However, the band filling effect caused by the Nd-substitution can decrease the spin polarization, and thus suppress the MR performance fundamentally. Contrary to the MR response, the Curie temperature(TC) shows an obvious optimization due to the band filling effect, which increases the carrier density near the Fermi level responsible for the ferromagnetic coupling interaction strengthen. Maybe, our work can provoke further research interests into the correlation of the band-filling effects and Fe/Mo disorder with the physical properties of other Fe/Mo-based double perovskites.
基金supported by the National Natural Science Foundation of China (Grant Nos. 60976068 and 60936005)the Cultivation Fund of the Key Scientific and Technical Innovation Project,Ministry of Education of China (Grant No. 78083)
文摘After constructing a stress and strain model, the valence bands of in-plane biaxial tensile strained Si is calculated by k·p method. In the paper we calculate the accurate anisotropy valance bands and the splitting energy between light and heavy hole bands. The results show that the valance bands are highly distorted, and the anisotropy is more obvious. To obtain the density of states (DOS) effective mass, which is a very important parameter for device modeling, a DOS effective mass model of biaxial tensile strained Si is constructed based on the valance band calculation. This model can be directly used in the device model of metal-oxide semiconductor field effect transistor (MOSFET). It also a provides valuable reference for biaxial tensile strained silicon MOSFET design.
基金Supported by the National Natural Science Foundation of China under Grant No.10604006Super Computer Center of Beijing Normal University
文摘By exact resolution of coupled ideal chains connecting an extra side site,we show that the so-called'anti-resonant effect' is suppressed when the electron energy is inside the overlap region of extended bands of the idealtight-binding chains.When the electronic energy is outside the band overlap region,the existence of 'anti-resonanteffect' is tuned by details of local connectivity around the extra side site and can be suppressed by introduction ofmagnetic flux.