The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec...The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.展开更多
The terahertz band,a unique segment of the electromagnetic spectrum,is crucial for observing the cold,dark universe and plays a pivotal role in cutting-edge scientific research,including the study of cosmic environmen...The terahertz band,a unique segment of the electromagnetic spectrum,is crucial for observing the cold,dark universe and plays a pivotal role in cutting-edge scientific research,including the study of cosmic environments that support life and imaging black holes.High-sensitivity superconductor–insulator–superconductor(SIS)mixers are essential detectors for terahertz astronomical telescopes and interferometric arrays.Compared to the commonly used classical Nb/AlO_(x)/Nb superconducting tunnel junction,the Nb/AlN/NbN hybrid superconducting tunnel junction has a higher energy gap voltage and can achieve a higher critical current density.This makes it particularly promising for the development of ultra-wideband,high-sensitivity coherent detectors or mixers in various scientific research fields.In this paper,we present a superconducting SIS mixer based on Nb/AlN/NbN parallel-connected twin junctions(PCTJ),which has a bandwidth extending up to490 GHz–720 GHz.The best achieved double-sideband(DSB)noise temperature(sensitivity)is below three times the quantum noise level.展开更多
A hybrid method for synthesizing antenna＇s three dimensional （3D） pattern is proposed to obtain the low sidelobe feature of truncated cone conformal phased arrays. In this method, the elements of truncated cone con...A hybrid method for synthesizing antenna＇s three dimensional （3D） pattern is proposed to obtain the low sidelobe feature of truncated cone conformal phased arrays. In this method, the elements of truncated cone conformal phased arrays are projected to the tangent plane in one generatrix of the truncated cone. Then two dimensional （2D） Chebyshev amplitude distribution optimization is respectively used in two mutual vertical directions of the tangent plane. According to the location of the elements, the excitation current amplitude distribution of each element on the conformal structure is derived reversely, then the excitation current amplitude is further optimized by using the genetic algorithm （GA）. A truncated cone problem with 8x8 elements on it, and a 3D pattern desired side lobe level （SLL） up to 35 dB, is studied. By using the hybrid method, the optimal goal is accomplished with acceptable CPU time, which indicates that this hybrid method for the low sidelobe synthesis is feasible.展开更多
Titanium aluminum carbide （Ti3AlC2 and Ti2AlC） powders were synthesized from TiH2 powders instead of Ti powders as Ti source by a tube furnace under argon atmosphere without preliminary dehydrogenation. 95 wt% pure ...Titanium aluminum carbide （Ti3AlC2 and Ti2AlC） powders were synthesized from TiH2 powders instead of Ti powders as Ti source by a tube furnace under argon atmosphere without preliminary dehydrogenation. 95 wt% pure Ti3AlC2 powders were synthesized from TiH2/1.IAl/2TiC at 1 450 ℃ for 120 min. High-purity Ti2AlC powders were also prepared from 3TiH2/1.5Al/C and 2TiH2/1.5Al/TiC powders at 1 400 ℃ for 120 min. The as-synthesized samples were porous and easy to be ground into powders. Sn or Si additives in starting materials increased the purity of synthesized Ti3AlC2 obviously and expanded the temperature range for the synthesis of Ti3AlC2. With Si or Sn as additives, high pure Ti3AlC2 was synthesized at 1 200℃ for 60 min from TiH2/x Si/Al/2TiC and TiH2/x Sn/Al/2TiC （x = 0.1, 0.2）, respectively.展开更多
The reduction of disulfides by samarium diiodide led to sa arium thiolates (ArSSml2).This new thiolate anion species reacted smoothly with α, β -unsaturated esters (nitriles) to give 1,4-addition products β -thioes...The reduction of disulfides by samarium diiodide led to sa arium thiolates (ArSSml2).This new thiolate anion species reacted smoothly with α, β -unsaturated esters (nitriles) to give 1,4-addition products β -thioesters and β -thionitriles in good yields under mild and neutralcondition.展开更多
The crystal structure of the new title compound （E）-ethyl 6-benzyl-2-[（cyclopropylmethylamino）（4-fluorophenylamino）methyleneamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate ethanol monosolvate （C28H...The crystal structure of the new title compound （E）-ethyl 6-benzyl-2-[（cyclopropylmethylamino）（4-fluorophenylamino）methyleneamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate ethanol monosolvate （C28H31FN 4O2S·C2H6O, Mr=552.70） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic system, space group P21/c with a=13.806（10）, b=10.850（7）, c=19.938（14）, β=98.842（9）° , V=2951（4）3 , Z=4, Dc=1.244g/cm 3 , F（000）=1176, μ=0.153 mm-1 , MoKα radiation （λ=0.71073）, R=0.0758 and wR=0.2234 for 4262 observed reflections with I 〉 2σ（I）. Intramolecular N-H…S and C-H…N interactions as well as intermolecular N-H…O and O-H…N hydrogen bonds help to stabilize the crystal structure. X-ray diffraction analysis reveals that the asymmetric unit contains one title molecule and one ethanol molecule.展开更多
We report the performances of a chalcopyrite Cu(In, Ga)Se<sub>2 </sub>CIGS-based thin-film solar cell with a newly employed high conductive n-Si layer. The data analysis was performed with the help of the ...We report the performances of a chalcopyrite Cu(In, Ga)Se<sub>2 </sub>CIGS-based thin-film solar cell with a newly employed high conductive n-Si layer. The data analysis was performed with the help of the 1D-Solar Cell Capacitance Simulator (1D-SCAPS) software program. The new device structure is based on the CIGS layer as the absorber layer, n-Si as the high conductive layer, i-In<sub>2</sub>S<sub>3</sub>, and i-ZnO as the buffer and window layers, respectively. The optimum CIGS bandgap was determined first and used to simulate and analyze the cell performance throughout the experiment. This analysis revealed that the absorber layer’s optimum bandgap value has to be 1.4 eV to achieve maximum efficiency of 22.57%. Subsequently, output solar cell parameters were analyzed as a function of CIGS layer thickness, defect density, and the operating temperature with an optimized n-Si layer. The newly modeled device has a p-CIGS/n-Si/In<sub>2</sub>S<sub>3</sub>/Al-ZnO structure. The main objective was to improve the overall cell performance while optimizing the thickness of absorber layers, defect density, bandgap, and operating temperature with the newly employed optimized n-Si layer. The increase of absorber layer thickness from 0.2 - 2 µm showed an upward trend in the cell’s performance, while the increase of defect density and operating temperature showed a downward trend in solar cell performance. This study illustrates that the proposed cell structure shows higher cell performances and can be fabricated on the lab-scale and industrial levels.展开更多
The ever-increasing environmental/energy crisis as well as the rapid upgrading of mobile devices had stimulated intensive research attention on promising alternative energy storage and conversion devices.Among these d...The ever-increasing environmental/energy crisis as well as the rapid upgrading of mobile devices had stimulated intensive research attention on promising alternative energy storage and conversion devices.Among these devices,alkali metal ion batteries,such as lithium-ion batteries(LIBs) had attracted increasing research attention due to its several advantages including,environmental friendliness,high power density,long cycle life and excellent reversibility.It had been widely used in consumer electronics,electric vehicles,and large power grids et ac.Silicon-based(silicon and their oxides,carbides) anodes had been widely studied.Its several advantages including low cost,high theoretical capacity,natural abundance,and environmental friendliness,which shows great potential as anodes of LIBs.In this review,we summarized the recently progress in the synthetic method of silicon matrix composites.The empirical method for prelithiation of silicon-based materials were also provided.Further,we also reviewed some novel characterization methods.Finally,the new design,preparation methods and properties of these nano materials were reviewed and compared.We hoped that this review can provide a general overview of recent progress and we briefly highlighted the current challenges and prospects,and will clarify the future trend of silicon anode LIBs research.展开更多
Largescale vaporsolid synthesis of ultralong silicon nitride （Si3N4） nanowires was achieved by using simple thermal evaporation of mixture powders of active carbon and monoxide silicon. The products were charac teri...Largescale vaporsolid synthesis of ultralong silicon nitride （Si3N4） nanowires was achieved by using simple thermal evaporation of mixture powders of active carbon and monoxide silicon. The products were charac terized by Xray diffraction, scanning electron microscopy, energydispersive Xray spectroscopy, and transmission electron microscopy. The results suggest that the silicon nitride nanowires have a smooth surface, with lengths of up to several hundreds of microns and diameters of 100300 nm. A detailed study of both the chemical and structural composition was performed. Such ultralong sil icon nitride nanowires demonstrate potential applications as materials for constructing nanoscale devices and as reinforcement in advanced composites.展开更多
基金Project supported by the Natural Science Foundation of Heilongjiang Province,China(Grant No.LH2022A026)the National Key Research and Development Program of China(Grant No.2022YFA1602500)+2 种基金the National Natural Science Foundation of China(Grant No.11934004)Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.145109309)Foundation of National Key Laboratory of Computational Physics(Grant No.6142A05QN22006)。
文摘The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.
基金Project supported in part by the National Key Research and Development Program of China(Grant Nos.2023YFA1608201 and 2023YFF0722301)the National Natural Science Foundation of China(Grant Nos.11925304,12020101002,12333013,12273119,and 12103093)supported by grant from the Russian Science Foundation(Grant No.23-7900019)。
文摘The terahertz band,a unique segment of the electromagnetic spectrum,is crucial for observing the cold,dark universe and plays a pivotal role in cutting-edge scientific research,including the study of cosmic environments that support life and imaging black holes.High-sensitivity superconductor–insulator–superconductor(SIS)mixers are essential detectors for terahertz astronomical telescopes and interferometric arrays.Compared to the commonly used classical Nb/AlO_(x)/Nb superconducting tunnel junction,the Nb/AlN/NbN hybrid superconducting tunnel junction has a higher energy gap voltage and can achieve a higher critical current density.This makes it particularly promising for the development of ultra-wideband,high-sensitivity coherent detectors or mixers in various scientific research fields.In this paper,we present a superconducting SIS mixer based on Nb/AlN/NbN parallel-connected twin junctions(PCTJ),which has a bandwidth extending up to490 GHz–720 GHz.The best achieved double-sideband(DSB)noise temperature(sensitivity)is below three times the quantum noise level.
基金supported by the Fundamental Research Funds for the Central Universities(YWF-13D2-XX-13)the National High-tech Research and Development Program(863 Program)(2008AA121802)
文摘A hybrid method for synthesizing antenna＇s three dimensional （3D） pattern is proposed to obtain the low sidelobe feature of truncated cone conformal phased arrays. In this method, the elements of truncated cone conformal phased arrays are projected to the tangent plane in one generatrix of the truncated cone. Then two dimensional （2D） Chebyshev amplitude distribution optimization is respectively used in two mutual vertical directions of the tangent plane. According to the location of the elements, the excitation current amplitude distribution of each element on the conformal structure is derived reversely, then the excitation current amplitude is further optimized by using the genetic algorithm （GA）. A truncated cone problem with 8x8 elements on it, and a 3D pattern desired side lobe level （SLL） up to 35 dB, is studied. By using the hybrid method, the optimal goal is accomplished with acceptable CPU time, which indicates that this hybrid method for the low sidelobe synthesis is feasible.
基金Funded by National Natural Science Foundation of China(Nos.51002045,51205111)Program for Innovative Research Team(in Science and Technology)in the University of Henan Province(No.2012IRTSTHN007),IRTHPU(No.T2013-4)Opening Project of Henan Key Discipline Open Laboratory of Mining Engineering Materials(No.MEM12-5)
文摘Titanium aluminum carbide （Ti3AlC2 and Ti2AlC） powders were synthesized from TiH2 powders instead of Ti powders as Ti source by a tube furnace under argon atmosphere without preliminary dehydrogenation. 95 wt% pure Ti3AlC2 powders were synthesized from TiH2/1.IAl/2TiC at 1 450 ℃ for 120 min. High-purity Ti2AlC powders were also prepared from 3TiH2/1.5Al/C and 2TiH2/1.5Al/TiC powders at 1 400 ℃ for 120 min. The as-synthesized samples were porous and easy to be ground into powders. Sn or Si additives in starting materials increased the purity of synthesized Ti3AlC2 obviously and expanded the temperature range for the synthesis of Ti3AlC2. With Si or Sn as additives, high pure Ti3AlC2 was synthesized at 1 200℃ for 60 min from TiH2/x Si/Al/2TiC and TiH2/x Sn/Al/2TiC （x = 0.1, 0.2）, respectively.
文摘The reduction of disulfides by samarium diiodide led to sa arium thiolates (ArSSml2).This new thiolate anion species reacted smoothly with α, β -unsaturated esters (nitriles) to give 1,4-addition products β -thioesters and β -thionitriles in good yields under mild and neutralcondition.
基金Supported by the National Natural Science Foundation of China (No.21102084)the Key Project of Hubei Provincial Department of Education (No.D20091301)Doctoral Startup Foundation of China Three Gorges University (No.KJ2009B004)
文摘The crystal structure of the new title compound （E）-ethyl 6-benzyl-2-[（cyclopropylmethylamino）（4-fluorophenylamino）methyleneamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate ethanol monosolvate （C28H31FN 4O2S·C2H6O, Mr=552.70） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic system, space group P21/c with a=13.806（10）, b=10.850（7）, c=19.938（14）, β=98.842（9）° , V=2951（4）3 , Z=4, Dc=1.244g/cm 3 , F（000）=1176, μ=0.153 mm-1 , MoKα radiation （λ=0.71073）, R=0.0758 and wR=0.2234 for 4262 observed reflections with I 〉 2σ（I）. Intramolecular N-H…S and C-H…N interactions as well as intermolecular N-H…O and O-H…N hydrogen bonds help to stabilize the crystal structure. X-ray diffraction analysis reveals that the asymmetric unit contains one title molecule and one ethanol molecule.
文摘We report the performances of a chalcopyrite Cu(In, Ga)Se<sub>2 </sub>CIGS-based thin-film solar cell with a newly employed high conductive n-Si layer. The data analysis was performed with the help of the 1D-Solar Cell Capacitance Simulator (1D-SCAPS) software program. The new device structure is based on the CIGS layer as the absorber layer, n-Si as the high conductive layer, i-In<sub>2</sub>S<sub>3</sub>, and i-ZnO as the buffer and window layers, respectively. The optimum CIGS bandgap was determined first and used to simulate and analyze the cell performance throughout the experiment. This analysis revealed that the absorber layer’s optimum bandgap value has to be 1.4 eV to achieve maximum efficiency of 22.57%. Subsequently, output solar cell parameters were analyzed as a function of CIGS layer thickness, defect density, and the operating temperature with an optimized n-Si layer. The newly modeled device has a p-CIGS/n-Si/In<sub>2</sub>S<sub>3</sub>/Al-ZnO structure. The main objective was to improve the overall cell performance while optimizing the thickness of absorber layers, defect density, bandgap, and operating temperature with the newly employed optimized n-Si layer. The increase of absorber layer thickness from 0.2 - 2 µm showed an upward trend in the cell’s performance, while the increase of defect density and operating temperature showed a downward trend in solar cell performance. This study illustrates that the proposed cell structure shows higher cell performances and can be fabricated on the lab-scale and industrial levels.
基金financially supported by the International Science & Technology Cooperation Program of China under 2019YFE0100200the NSAF (Grant No. U1930113)+2 种基金the Beijing Natural Science Foundation (Grant No. L182022)the 13th Five-Year Plan of Advance Research and Sharing Techniques by the Equipment Department (41421040202)the SAST (2018-114).
文摘The ever-increasing environmental/energy crisis as well as the rapid upgrading of mobile devices had stimulated intensive research attention on promising alternative energy storage and conversion devices.Among these devices,alkali metal ion batteries,such as lithium-ion batteries(LIBs) had attracted increasing research attention due to its several advantages including,environmental friendliness,high power density,long cycle life and excellent reversibility.It had been widely used in consumer electronics,electric vehicles,and large power grids et ac.Silicon-based(silicon and their oxides,carbides) anodes had been widely studied.Its several advantages including low cost,high theoretical capacity,natural abundance,and environmental friendliness,which shows great potential as anodes of LIBs.In this review,we summarized the recently progress in the synthetic method of silicon matrix composites.The empirical method for prelithiation of silicon-based materials were also provided.Further,we also reviewed some novel characterization methods.Finally,the new design,preparation methods and properties of these nano materials were reviewed and compared.We hoped that this review can provide a general overview of recent progress and we briefly highlighted the current challenges and prospects,and will clarify the future trend of silicon anode LIBs research.
基金supported by the Key Program of the National Natural Science Foundation of China(No.19934003)the Grand Program of Natural Science Research of Anhui Education Department(No.ZD2007003-1)+1 种基金the Natural Science Research Program of Universities and Colleges of Anhui Province(No.KJ2008A19ZC)the Opening Program of Cultivating Baseof Anhui Key Laboratory of Spintronics and Nano-materials(No.2012YKF10)
文摘Largescale vaporsolid synthesis of ultralong silicon nitride （Si3N4） nanowires was achieved by using simple thermal evaporation of mixture powders of active carbon and monoxide silicon. The products were charac terized by Xray diffraction, scanning electron microscopy, energydispersive Xray spectroscopy, and transmission electron microscopy. The results suggest that the silicon nitride nanowires have a smooth surface, with lengths of up to several hundreds of microns and diameters of 100300 nm. A detailed study of both the chemical and structural composition was performed. Such ultralong sil icon nitride nanowires demonstrate potential applications as materials for constructing nanoscale devices and as reinforcement in advanced composites.
