Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localize...Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.展开更多
Owing to the low p-type doping efficiency in the hole injection layers(HILs)of GaN-based ultra-violet(UV)vertical-cavity surface-emitting laser(VCSEL),effective hole injection in multi-quantum wells(MQW)is not achieve...Owing to the low p-type doping efficiency in the hole injection layers(HILs)of GaN-based ultra-violet(UV)vertical-cavity surface-emitting laser(VCSEL),effective hole injection in multi-quantum wells(MQW)is not achieved,significantly limiting the photoelectric performance of UV VCSELs.We developed a slope-shaped HIL and an EBL structure in AlGaN-based UV VCSELs.In this study,by improving hole in-jection efficiency,the hole concentration in the HIL is increased,and the hole barrier at the electron barrier layer(EBL)/HIL interface is decreased.This minimises the hindering effect of hole injection.A mathematic-al model of this structure was established using a commercial software,photonic integrated circuit simulator in three-dimension(PICS3D).We conducted simulations and theoretical analyses of the band structure and carrier concentration.Introducing polarisation doping through the Al composition gradient in the HIL en-hanced the hole concentration,thereby improving the hole injection efficiency.Furthermore,modifying the EBL eliminated the abrupt potential barrier for holes at the HIL/EBL interface,smoothing the valence band.This improved the stimulated radiative recombination rate in the MQW,increasing the laser power.There-fore,the sloped p-type layer can enhance the optoelectronic performance of UV VCSELs.展开更多
Carbon-based perovskite solar cells have attracted much attention,due to their low cost,simple preparation process and high chemical stability.However,the devices exhibit low photoelectric conversion efficiency,owing ...Carbon-based perovskite solar cells have attracted much attention,due to their low cost,simple preparation process and high chemical stability.However,the devices exhibit low photoelectric conversion efficiency,owing to the presence of defects and interface impedance between the perovskite active layer and the contact interface.In order to minimize the interfacial defects and improve the charge transfer performance between the perovskite layer and the contact interface,cetyltrimethylammonium chloride(CTAC)was introduced into the lower interface of HTL-free carbon-based perovskite solar cells,because CTAC can be used as interface modification material to passivate the buried interface of perovskite and promote grain growth.It was found that CTAC can not only passivate the interface defects of perovskite,but also improve the crystalline quality of perovskite.As a result,the photovoltaic conversion efficiency of reaches 17.18%,which is 12.5%higher than that of the control group.After 20 days in air with 60%RH humidity,the cell can still maintain more than 90%of the initial efficiency,which provides a new strategy for interfacial passivation of perovskite solar cells.展开更多
According to the mining method for Dongguashan Copper Mine and Tongkeng Mine in China, and with the help of the cavity monitoring system（CMS） and mining software Surpac, the 3D cavity models were established exactly...According to the mining method for Dongguashan Copper Mine and Tongkeng Mine in China, and with the help of the cavity monitoring system（CMS） and mining software Surpac, the 3D cavity models were established exactly. A series of correlative techniques for calculating stope over-excavation and under-excavation, stope dilution and ore loss rates, and the blasting design of the pillar with complicated irregular boundaries were developed. These techniques were applied in Dongguashan Copper Mine and Tongkeng Mine successfully. Using these techniques, the dilution rates of stopes 52-2^#, 52-6^#, 52-8^#and 52-10^# of Dongguashan Copper Mine are calculated to be 2.12%, 8.46%, 12-67% and 10.68%, respectively, and the ore loss rates of stopes 52-6^# and 5-8^# are 4.41% and 3.70%, severally. Furthermore, according to the design accomplished by the technique for a pillar of Tongkeng Mine with irregular boundary, the volume, total length of boreholes and the dynamite quantity of the pillar are computed to be 1.2 ×10^4 m^3, 2.98 km and 10.97 t, correspondingly.展开更多
Ground constructions and mines are severely threatened by ones. Safe and precise cavity detection is vital for reasonable cavity underground cavities especially those unsafe or inaccessible evaluation and disposal. Th...Ground constructions and mines are severely threatened by ones. Safe and precise cavity detection is vital for reasonable cavity underground cavities especially those unsafe or inaccessible evaluation and disposal. The conventional cavity detection methods and their limitation were analyzed. Those methods cannot form 3D model of underground cavity which is used for instructing the cavity disposal; and their precisions in detection are always greatly affected by the geological circumstance. The importance of 3D cavity detection in metal mine for safe exploitation was pointed out; and the 3D cavity laser detection method and its principle were introduced. A cavity auto scanning laser system was recommended to actualize the cavity 3D detection after comparing with the other laser detection systems. Four boreholes were chosen to verify the validity of the cavity auto scanning laser system. The results show that the cavity auto scanning laser system is very suitable for underground 3D cavity detection, especially for those inaccessible ones.展开更多
To explore the influence of karst cavity pressure on the failure mechanisms of rock layers above water-filled caves, novel blow-out and collapse mechanisms are put forward in this study. The proposed method uses the n...To explore the influence of karst cavity pressure on the failure mechanisms of rock layers above water-filled caves, novel blow-out and collapse mechanisms are put forward in this study. The proposed method uses the nonlinear optimization to obtain the failure profiles of surrounding layered rock with water-filled cave at the bottom of the tunnel. By referring to the functional catastrophe theory, stability analysis with different properties in different rock layers is implemented with considering the incorporation of seepage forces since the groundwater cannot be ignored in the catastrophe analysis of deep tunnel bottom. Also the parametric analysis is implemented to discuss the influences of different rock strength factors on the failure profiles. In order to offer a good guide of design for the excavation of deep tunnels above the water-filled caves, the proposed method is applied to design of the minimum effective height for rock layer. The results obtained by this work agree well with the existing published ones.展开更多
With the continuous development of electronic industry, people’s demand for semiconductor materials is also increasing. How to prepare semiconductor materials with low cost, low energy consumption and high yield has ...With the continuous development of electronic industry, people’s demand for semiconductor materials is also increasing. How to prepare semiconductor materials with low cost, low energy consumption and high yield has become one of the hot spots of research. ZnTe is commonly used in the semiconductor industry due to its superior optoelectronic properties. Electrochemical deposition is one of the most frequently used methods to prepare ZnTe thin films. However,the traditional electrochemical deposition technology has many shortcomings, such as slow deposition rate and poor film quality. These hinder the large-scale promotion of zinc telluride electrochemical deposition technology. To solve the problems encountered in the preparation of semiconductor thin films by conventional electrochemical deposition, and based on the photoconductive properties of semiconductor materials themselves, the basic principles of photoelectrochemistry of semiconductor electrodes, and some characteristics of the electrochemical deposition process of semiconductor materials, the use of photoelectrochemical deposition method for the preparation of semiconductor materials was proposed. Firstly, the electrochemical behaviors(electrode reactions, nucleation growth and charge transport process) of the ZnTe electrodeposition under illumination and dark state conditions were studied. Then, the potentiostatic deposition of ZnTe was carried out under light and dark conditions. The phase structure, morphology and composition of the sediments were studied using X-ray diffractometer, scanning electron microscope and other testing methods. Finally, the photoelectrochemical deposition mechanisms were analyzed. Compared with conventional electrochemical deposition, photoelectrochemical deposition increases the current density during deposition and reduces the charge transfer impedance during ZnTe deposition process. In addition, since light illumination promotes the deposition of the difficult-to-deposit element Zn, the component ratio of ZnTe thin films prepared by photoelectrochemical deposition is closer to 1:1, making it a viable and reliable approach for ZnTe production.展开更多
Based on the Fermi's golden rule and the theory of Boltzmann collision term approximation, a physically-based model for hole scattering rate(SR) in strained Si1-x Gex/(100)Si was presented, which takes into accoun...Based on the Fermi's golden rule and the theory of Boltzmann collision term approximation, a physically-based model for hole scattering rate(SR) in strained Si1-x Gex/(100)Si was presented, which takes into account a variety of scattering mechanisms,including ionized impurity, acoustic phonon, non-polar optical phonon and alloy disorder scattering. It is indicated that the SRs of acoustic phonon and non-polar optical phonon decrease under the strain, and the total SR in strained Si1-x Gex/(100)Si also decreases obviously with increasing Ge fraction(x). Moreover, the total SR continues to show a constant tendency when x is less than 0.3. In comparison with bulk Si, the total SR of strained Si1-x Gex/(100) Si decreases by about 58%.展开更多
文摘Geometry optimization of p-C_(6)H_(4)-connected cyclo[20]carbon(p-C_(6)H_(4)-C_(20))was carried out at M062X/6-311G(d,p)level,three kinds of bond orders(Mayer,Laplacian,and Wiberg),electron-hole distributions,localized orbital locators(LOL),and infrared(IR)spectrum were also performed at the same level.Based on TD-DFT M062X/6-311G(d,p)method,the first 20 excited states and ultraviolet(UV)spectra of p-C_(6)H_(4)-C_(20) were calculated.Calculation results of π-electron delocalization analyses prove thatπ-electron delocalization of p-C_(6)H_(4)-C_(20) is more likely to occur on shorter C-C bonds rather than longer C-C bonds,and inside/outside of the ring plane rather than above/below the ring plane.Two absorption peaks of p-C_(6)H_(4)-C_(20) locate at about 319 nm and 236 nm,respectively.
文摘Owing to the low p-type doping efficiency in the hole injection layers(HILs)of GaN-based ultra-violet(UV)vertical-cavity surface-emitting laser(VCSEL),effective hole injection in multi-quantum wells(MQW)is not achieved,significantly limiting the photoelectric performance of UV VCSELs.We developed a slope-shaped HIL and an EBL structure in AlGaN-based UV VCSELs.In this study,by improving hole in-jection efficiency,the hole concentration in the HIL is increased,and the hole barrier at the electron barrier layer(EBL)/HIL interface is decreased.This minimises the hindering effect of hole injection.A mathematic-al model of this structure was established using a commercial software,photonic integrated circuit simulator in three-dimension(PICS3D).We conducted simulations and theoretical analyses of the band structure and carrier concentration.Introducing polarisation doping through the Al composition gradient in the HIL en-hanced the hole concentration,thereby improving the hole injection efficiency.Furthermore,modifying the EBL eliminated the abrupt potential barrier for holes at the HIL/EBL interface,smoothing the valence band.This improved the stimulated radiative recombination rate in the MQW,increasing the laser power.There-fore,the sloped p-type layer can enhance the optoelectronic performance of UV VCSELs.
基金National Natural Science Foundation of China (52162028)Natural Science Foundation of Jiangxi Province (20232ACB204011,20224BAB204001)+3 种基金Education Department of Jiangxi Province (GJJ2201001)Jingdezhen Municipal Science and Technology Bureau (2023GY001-16,2023ZDGG001 and 20224SF005-08)Opening Project of National Engineering Research Center for Domestic&Building Ceramics (GCZX2301)State Key Laboratory of New Ceramics and Fine Processing in Tsinghua University (KF202309,KF202414)。
文摘Carbon-based perovskite solar cells have attracted much attention,due to their low cost,simple preparation process and high chemical stability.However,the devices exhibit low photoelectric conversion efficiency,owing to the presence of defects and interface impedance between the perovskite active layer and the contact interface.In order to minimize the interfacial defects and improve the charge transfer performance between the perovskite layer and the contact interface,cetyltrimethylammonium chloride(CTAC)was introduced into the lower interface of HTL-free carbon-based perovskite solar cells,because CTAC can be used as interface modification material to passivate the buried interface of perovskite and promote grain growth.It was found that CTAC can not only passivate the interface defects of perovskite,but also improve the crystalline quality of perovskite.As a result,the photovoltaic conversion efficiency of reaches 17.18%,which is 12.5%higher than that of the control group.After 20 days in air with 60%RH humidity,the cell can still maintain more than 90%of the initial efficiency,which provides a new strategy for interfacial passivation of perovskite solar cells.
基金Projects(2007BAK22B04, 2006BAB02B05) supported by the National 11th Five-Year Science and Technology Supporting Plan of ChinaProject(50490274) supported by the National Natural Science Foundation of China
文摘According to the mining method for Dongguashan Copper Mine and Tongkeng Mine in China, and with the help of the cavity monitoring system（CMS） and mining software Surpac, the 3D cavity models were established exactly. A series of correlative techniques for calculating stope over-excavation and under-excavation, stope dilution and ore loss rates, and the blasting design of the pillar with complicated irregular boundaries were developed. These techniques were applied in Dongguashan Copper Mine and Tongkeng Mine successfully. Using these techniques, the dilution rates of stopes 52-2^#, 52-6^#, 52-8^#and 52-10^# of Dongguashan Copper Mine are calculated to be 2.12%, 8.46%, 12-67% and 10.68%, respectively, and the ore loss rates of stopes 52-6^# and 5-8^# are 4.41% and 3.70%, severally. Furthermore, according to the design accomplished by the technique for a pillar of Tongkeng Mine with irregular boundary, the volume, total length of boreholes and the dynamite quantity of the pillar are computed to be 1.2 ×10^4 m^3, 2.98 km and 10.97 t, correspondingly.
基金Project(50490274) supported by the National Natural Science Foundation of China
文摘Ground constructions and mines are severely threatened by ones. Safe and precise cavity detection is vital for reasonable cavity underground cavities especially those unsafe or inaccessible evaluation and disposal. The conventional cavity detection methods and their limitation were analyzed. Those methods cannot form 3D model of underground cavity which is used for instructing the cavity disposal; and their precisions in detection are always greatly affected by the geological circumstance. The importance of 3D cavity detection in metal mine for safe exploitation was pointed out; and the 3D cavity laser detection method and its principle were introduced. A cavity auto scanning laser system was recommended to actualize the cavity 3D detection after comparing with the other laser detection systems. Four boreholes were chosen to verify the validity of the cavity auto scanning laser system. The results show that the cavity auto scanning laser system is very suitable for underground 3D cavity detection, especially for those inaccessible ones.
文摘To explore the influence of karst cavity pressure on the failure mechanisms of rock layers above water-filled caves, novel blow-out and collapse mechanisms are put forward in this study. The proposed method uses the nonlinear optimization to obtain the failure profiles of surrounding layered rock with water-filled cave at the bottom of the tunnel. By referring to the functional catastrophe theory, stability analysis with different properties in different rock layers is implemented with considering the incorporation of seepage forces since the groundwater cannot be ignored in the catastrophe analysis of deep tunnel bottom. Also the parametric analysis is implemented to discuss the influences of different rock strength factors on the failure profiles. In order to offer a good guide of design for the excavation of deep tunnels above the water-filled caves, the proposed method is applied to design of the minimum effective height for rock layer. The results obtained by this work agree well with the existing published ones.
基金Project(51774341) supported by the National Natural Science Foundation of ChinaProject(2018GK4001) supported by the Science and Technology Tackling and Transformation of Major Scientific and Technological Achievements Project of Hunan Province,China。
文摘With the continuous development of electronic industry, people’s demand for semiconductor materials is also increasing. How to prepare semiconductor materials with low cost, low energy consumption and high yield has become one of the hot spots of research. ZnTe is commonly used in the semiconductor industry due to its superior optoelectronic properties. Electrochemical deposition is one of the most frequently used methods to prepare ZnTe thin films. However,the traditional electrochemical deposition technology has many shortcomings, such as slow deposition rate and poor film quality. These hinder the large-scale promotion of zinc telluride electrochemical deposition technology. To solve the problems encountered in the preparation of semiconductor thin films by conventional electrochemical deposition, and based on the photoconductive properties of semiconductor materials themselves, the basic principles of photoelectrochemistry of semiconductor electrodes, and some characteristics of the electrochemical deposition process of semiconductor materials, the use of photoelectrochemical deposition method for the preparation of semiconductor materials was proposed. Firstly, the electrochemical behaviors(electrode reactions, nucleation growth and charge transport process) of the ZnTe electrodeposition under illumination and dark state conditions were studied. Then, the potentiostatic deposition of ZnTe was carried out under light and dark conditions. The phase structure, morphology and composition of the sediments were studied using X-ray diffractometer, scanning electron microscope and other testing methods. Finally, the photoelectrochemical deposition mechanisms were analyzed. Compared with conventional electrochemical deposition, photoelectrochemical deposition increases the current density during deposition and reduces the charge transfer impedance during ZnTe deposition process. In addition, since light illumination promotes the deposition of the difficult-to-deposit element Zn, the component ratio of ZnTe thin films prepared by photoelectrochemical deposition is closer to 1:1, making it a viable and reliable approach for ZnTe production.
基金Project(JY0300122503)supported by the Research Fund for the Doctoral Program of Higher Education of ChinaProject(P140c090303110c0904)supported by NLAIC Research Fund,ChinaProjects(K5051225014,7214608503)supported by the Fundamental Research Funds for the Central Universities,China
文摘Based on the Fermi's golden rule and the theory of Boltzmann collision term approximation, a physically-based model for hole scattering rate(SR) in strained Si1-x Gex/(100)Si was presented, which takes into account a variety of scattering mechanisms,including ionized impurity, acoustic phonon, non-polar optical phonon and alloy disorder scattering. It is indicated that the SRs of acoustic phonon and non-polar optical phonon decrease under the strain, and the total SR in strained Si1-x Gex/(100)Si also decreases obviously with increasing Ge fraction(x). Moreover, the total SR continues to show a constant tendency when x is less than 0.3. In comparison with bulk Si, the total SR of strained Si1-x Gex/(100) Si decreases by about 58%.
