Currently, a conventional two-step method has been used to generate black silicon （BS） surfaces on silicon substrates for solar cell manufacturing. However, the performances of the solar cell made with such surface ...Currently, a conventional two-step method has been used to generate black silicon （BS） surfaces on silicon substrates for solar cell manufacturing. However, the performances of the solar cell made with such surface generation method are poor, because of the high surface recombination caused by deep etching in the conventional surface generation method for BS. In this work, a modified wet chemical etching solution with additives was developed. A homogeneous BS layer with random porous structure was obtained from the modified solution in only one step at room temperature. The BS layer had low reflectivity and shallow etching depth. The additive in the etch solution performs the function of pH-modulation. After 16-min etching, the etching depth in the samples was approximately 200 nm, and the spectrum-weighted-reflectivity in the range from 300 nm to 1200 nm was below 5%. BS solar cells were fabricated in the production line. The decreased etching depth can improve the electrical performance of solar cells because of the decrease in surface recombination. An efficiency of 15.63% for the modified etching BS solar cells was achieved on a large area, p- type single crystalline silicon substrate with a 624.32-mV open circuit voltage and a 77.88% fill factor.展开更多
The friction and wear properties of silicon surface covered with octadecyltrichlorosilane （OTS） self-assembled monolayers （SAMs） were investigated by a UMT-2 microtribometer with and without water as lubricant, an...The friction and wear properties of silicon surface covered with octadecyltrichlorosilane （OTS） self-assembled monolayers （SAMs） were investigated by a UMT-2 microtribometer with and without water as lubricant, and then compared with that of bare silicon surface. Dry friction measurement results show that OTS SAMs have a very low friction coefficient compared to bare silicon surface under lower sliding velocity and normal contact load. However, heavy wear occurs on OTS SAMs under higher contact stress and sliding velocity. Under water lubrication, OTS SAMs can prevent wear obviously and meanwhile present low coefficient of friction even under high velocities, The improved frictional and anti-wear property on OTS SAMs surface is attributed to the hydrophobic property of OTS and hydrodynamic effect of water. Furthermore, a wear critical phase diagram for OTS SAMs with and without water was proposed, which indicates that OTS SAMs working under water lubrication owns a wider range of available load and velocity to reduce friction and prevent wear.展开更多
Peroxodiphosphate anion （a powerful oxidant） can be formed in a special water-based cleaning agent through an electrochemical reaction on boron-doped diamond electrodes. This electrochemical reaction was applied dur...Peroxodiphosphate anion （a powerful oxidant） can be formed in a special water-based cleaning agent through an electrochemical reaction on boron-doped diamond electrodes. This electrochemical reaction was applied during the oxidation,decomposition, and removal of organic contaminations on a silicon wafer surface, and it was used as the first step in the diamond electrochemical cleaning technique （DECT）. The cleaning effects of DECT were compared with the RCA cleaning technique, including the silicon surface chemical composition that was observed with X-ray photoelectron spectroscopy and the morphology observed with atomic force microscopy. The measurement results show that the silicon surface cleaned by DECT has slightly less organic residue and lower micro-roughness,so the new technique is more effective than the RCA cleaning technique.展开更多
The mechanism of hard surfaces worn by soft polymers is not clearly understood.In this paper,a new hypothesis has been proposed,it holds that the stress acting on the hard surface under certain working conditions is t...The mechanism of hard surfaces worn by soft polymers is not clearly understood.In this paper,a new hypothesis has been proposed,it holds that the stress acting on the hard surface under certain working conditions is the main reason for wear of the hard surface by a soft polymer.The hypothesis was investigated by changing the contact form between tribo-pairs.For this,friction tests between six polymer spheres and smooth,rough,and inclined monocrystalline silicon surfaces were carried out.The results show that for the same tribo-pair,the silicon surface will not be worn in some contact forms,but in other contact forms it will be worn.We believe the wear of hard surface by a soft polymer is the result of the combined stress state action on the hard surface.展开更多
A nano-structured surface is formed on the pyramid structure of n-type silicon solar cells by size-controlled silver nano-particle assisted etching. Such a nano-structure creates a front average weighted reflectance o...A nano-structured surface is formed on the pyramid structure of n-type silicon solar cells by size-controlled silver nano-particle assisted etching. Such a nano-structure creates a front average weighted reflectance of less than 2.5% in the 300-1200nm range due to the broadband reflection suppression. The sodium hydroxide is used to obtain the low-area surface by post-etching the nano-structure, thus the severe carrier recombination associated with the nano-structured surface could be reduced. After emitter forming, screen printing and firing by means of the industrial fabrication protocol, an 18.3%-efficient nano-structured silicon solar cell with rear emitter is fabricated. The process of fabricating the solar cells matches well with industrial manufacture and shows promising prospects.展开更多
A silane containing isocynate groups（3-（trimethoxysilyl） propyl cyanic acid ester,NCO） associated with hexamethyldisilazane（HDMS） is used to modify the surface of poly-（p-phenylene terephthalamide）（PPTA） pul...A silane containing isocynate groups（3-（trimethoxysilyl） propyl cyanic acid ester,NCO） associated with hexamethyldisilazane（HDMS） is used to modify the surface of poly-（p-phenylene terephthalamide）（PPTA） pulps. As concerns surface chemistry,Attenuated Total Reflection Flourier Transformed Infrared Spectroscopy（ATR FT-IR） and X-ray photoelectron spectroscopy（XPS） confirm that NCO associated with HDMS silylated PPTA pulp surface successfully. While the modified PPTA pulps are used as reinforcing fillers for silicone composites,the dispersibility and storage stability of the composites are improved as Mooney testing indicated. The silicone composites filled with modified PPTA pulps present a higher tensile strength and much higher broken elongation（3.30 MPa and 166.54%） than that with unmodified pulps（3.08 MPa and 68.47%）,respectively.展开更多
For reducing the core loss of grain oriented silicon steel and improving its aging property, a new method, the LLSA by using Sb as the laser surface alloying element, was investigated, and at proper technique conditio...For reducing the core loss of grain oriented silicon steel and improving its aging property, a new method, the LLSA by using Sb as the laser surface alloying element, was investigated, and at proper technique conditions rather good result was obtained.展开更多
In this paper, the adsorption of Ag^＋ and hydrated Ag^＋ cations on clean Si（111） surface were investigated by using cluster （Gaussian 03） and periodic （DMol^3） ab initio calculations. Si（111） surface was des...In this paper, the adsorption of Ag^＋ and hydrated Ag^＋ cations on clean Si（111） surface were investigated by using cluster （Gaussian 03） and periodic （DMol^3） ab initio calculations. Si（111） surface was described with cluster models （Si14H17 and Si22H21） and a four-silicon layer slab with periodic boundary conditions. The effect of basis set superposition error （BSSE） was taken into account by applying the counterpoise correction. The calculated results indicated that the binding energies between hydrated Ag^＋ cations and clean Si（111） surface are large, suggesting a strong interaction between hydrated Ag^＋ cations and the semiconductor surface. With the increase of number, water molecules form hydrogen bond network with one another and only one water molecule binds directly to the Ag^＋ cation. The Ag^＋ cation in aqueous solution will safely attach to the clean Si（111） surface.展开更多
To study the adsorption behavior of Cu^＋ in aqueous solution on semiconductor surface, the interactions of Cu^＋ and hydrated Cu^＋ cations with the clean Si（111） surface were investigated via hybrid density functi...To study the adsorption behavior of Cu^＋ in aqueous solution on semiconductor surface, the interactions of Cu^＋ and hydrated Cu^＋ cations with the clean Si（111） surface were investigated via hybrid density functional theory（B3LYP） and Moller-Plesset second-order perturbation（MP2） method. The clean Si（111） surface was described with cluster models（Si14H17, Si16H20 and Si22H21） and a four-silicon layer slab under periodic boundary conditions. Calculation results indicate that the bonding nature of adsorption of Cu^＋ on Si surface can be viewed as partial covalent as well as ionic bonding. The binding energies between hydrated Cu^＋ cations and Si（111） surface are large, suggesting a strong interaction between them. The coordination number of Cu^＋（H2O）n on Si（111） surface was found to be 4. As the number of water molecules is larger than 5, water molecules form a hydrogen bond network. In aqueous solution, Cu^＋ cations will safely attach to the clean Si（111） surface.展开更多
The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS s...The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments.展开更多
Triboelectric nanogenerators(TENGs)are advanced devices designed to harness mechanical energy from various sources such as vibrations,friction,or shear and convert it into electrical energy.Schottkybased tribovoltaic ...Triboelectric nanogenerators(TENGs)are advanced devices designed to harness mechanical energy from various sources such as vibrations,friction,or shear and convert it into electrical energy.Schottkybased tribovoltaic nanogenerators(TVNGs)are a type of TENG that incorporates a semiconductor-metal barrier,known as a Schottky barrier,into their design.This barrier aids in rectifying the generated electrical output,eliminating the need for external current rectification circuits.Further,silicon-based Schottky TVNGs can leverage existing surface functionalization procedures to improve device output and durability.Almost without exception,these procedures commence with an oxide-free and hydrogen-terminated silicon surface(Si-H).Replacing hydrogen with its heavier isotope deuterium(Si-D)does not hinder access to established surface chemistry procedures,and based on previous reports the isotope exchange is likely to improve resistance of the non-oxide semiconductor against its anodic decomposition.In this report we have developed the optimal surface chemistry procedures for preparing Si-D surfaces and explored to what extent this isotope effect translates into improved performances and durability of Schottky TVNGs.Our findings reveal that the maximum current output of TVNGs constructed on Si-D Si(111)crystals is comparable to that of mainstream Si-H devices.Additionally,we highlight a generally higher density of surface electrical defects in Si-D compared to Si-H,and verify the contribution of a flexoelectric term to the mechanic-to-electrical energy conversion mechanism.Ultimately,our experiments demonstrate that the primary advantage of replacing hydrogen with deuterium lies in enhancing device longevity.展开更多
The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectrosc...The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy（XPS） and the x-ray absorption near-edge structure（XANES） spectra of the interfacial structure of an s-triazine molecule adsorbed on Si（100） surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si（100） surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations.展开更多
The selection of milling tools for Si C14Cu4Mg0.5Si based on Aluminium matrix 2A14 was analyzed, and the factors that affect the efficiency of the milling were discussed. The Si C14Cu4Mg0.5Si was designed for use on t...The selection of milling tools for Si C14Cu4Mg0.5Si based on Aluminium matrix 2A14 was analyzed, and the factors that affect the efficiency of the milling were discussed. The Si C14Cu4Mg0.5Si was designed for use on the moon landing vehicle or missile wings, but the hardness of aluminium-silicon carbide composite material was very high, much higher than the general hardness of cemented carbide, which will bring many difficulties in the aluminium-silicon carbide composite material processing. The chemical compositions of Si C14Cu4Mg0.5Si were analyzed. A new selected indexable cutter was designed to mill Si C14Cu4Mg0.5Si. The structure design of milling cutter was different from the conventional milling cutter, breaking the previous limitations to a certain extent, pioneering the idea. The tool material wear was detected by experiments. The mechanical and physical properties of Si C14Cu4Mg0.5Si were also tested. Si C14Cu4Mg0.5Si exhibited different surface quality characteristics under different milling tools.展开更多
The adsorption of a half monolayer of Mg atoms on the Si（100）-（2×1） surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atom...The adsorption of a half monolayer of Mg atoms on the Si（100）-（2×1） surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atoms on the different sites are calculated.It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si（100）-（2×1） surface and a metastable shallow site also exists above the surface.This is in agreement with the experimental results.The charge transfer and the layer projected density of states are also studied.展开更多
The production of bimetallic nanoparticles with ultrasmall sizes is the constant pursuit in chemistry and materials science because of their promising applications in catalysis,electronics and sensing.Here we report a...The production of bimetallic nanoparticles with ultrasmall sizes is the constant pursuit in chemistry and materials science because of their promising applications in catalysis,electronics and sensing.Here we report ambient-temperature preparation of bimetallic NPs with tunable size and composition using microfluidic-controlled co-reduction of two metal precursors on silicon surface.Instead of free diffusion of metal ions in bulk system,microfluidic flow could well control the local ions concentration,thus leading to homogenous and controllable reduction rate among different nucleation sites.By controlling precursor concentration,flow rate and reaction time,we rationally design a series of bimetallic NPs including Ag-Cu,Ag-Pd,Cu-Pt,Cu-Pd and Pt-Pd NPs with ultrasmall sizes(~3.0 nm),tight size distributions(relative standard deviation(RSD)<21%),clean surface,and homogenous elemental compositions among particles(standard deviation(SD)of weight ratios<3.5%).This approach provides a facile,green and scalable method toward the synthesis of diverse bimetallic NPs with excellent activity.展开更多
文摘Currently, a conventional two-step method has been used to generate black silicon （BS） surfaces on silicon substrates for solar cell manufacturing. However, the performances of the solar cell made with such surface generation method are poor, because of the high surface recombination caused by deep etching in the conventional surface generation method for BS. In this work, a modified wet chemical etching solution with additives was developed. A homogeneous BS layer with random porous structure was obtained from the modified solution in only one step at room temperature. The BS layer had low reflectivity and shallow etching depth. The additive in the etch solution performs the function of pH-modulation. After 16-min etching, the etching depth in the samples was approximately 200 nm, and the spectrum-weighted-reflectivity in the range from 300 nm to 1200 nm was below 5%. BS solar cells were fabricated in the production line. The decreased etching depth can improve the electrical performance of solar cells because of the decrease in surface recombination. An efficiency of 15.63% for the modified etching BS solar cells was achieved on a large area, p- type single crystalline silicon substrate with a 624.32-mV open circuit voltage and a 77.88% fill factor.
基金Funded by the National Natural Science Foundation of China (Nos. 50575123, 50275071, 50545035) National Basic Research Programof China ("973" Program) (No. 2003CB716205)
文摘The friction and wear properties of silicon surface covered with octadecyltrichlorosilane （OTS） self-assembled monolayers （SAMs） were investigated by a UMT-2 microtribometer with and without water as lubricant, and then compared with that of bare silicon surface. Dry friction measurement results show that OTS SAMs have a very low friction coefficient compared to bare silicon surface under lower sliding velocity and normal contact load. However, heavy wear occurs on OTS SAMs under higher contact stress and sliding velocity. Under water lubrication, OTS SAMs can prevent wear obviously and meanwhile present low coefficient of friction even under high velocities, The improved frictional and anti-wear property on OTS SAMs surface is attributed to the hydrophobic property of OTS and hydrodynamic effect of water. Furthermore, a wear critical phase diagram for OTS SAMs with and without water was proposed, which indicates that OTS SAMs working under water lubrication owns a wider range of available load and velocity to reduce friction and prevent wear.
文摘Peroxodiphosphate anion （a powerful oxidant） can be formed in a special water-based cleaning agent through an electrochemical reaction on boron-doped diamond electrodes. This electrochemical reaction was applied during the oxidation,decomposition, and removal of organic contaminations on a silicon wafer surface, and it was used as the first step in the diamond electrochemical cleaning technique （DECT）. The cleaning effects of DECT were compared with the RCA cleaning technique, including the silicon surface chemical composition that was observed with X-ray photoelectron spectroscopy and the morphology observed with atomic force microscopy. The measurement results show that the silicon surface cleaned by DECT has slightly less organic residue and lower micro-roughness,so the new technique is more effective than the RCA cleaning technique.
基金The work is supported by the National Key R&D Program of China(Grant No.2018YFB2001001)the National Natural Science Foundation of China(Grant Nos.51575300 and 51735006).
文摘The mechanism of hard surfaces worn by soft polymers is not clearly understood.In this paper,a new hypothesis has been proposed,it holds that the stress acting on the hard surface under certain working conditions is the main reason for wear of the hard surface by a soft polymer.The hypothesis was investigated by changing the contact form between tribo-pairs.For this,friction tests between six polymer spheres and smooth,rough,and inclined monocrystalline silicon surfaces were carried out.The results show that for the same tribo-pair,the silicon surface will not be worn in some contact forms,but in other contact forms it will be worn.We believe the wear of hard surface by a soft polymer is the result of the combined stress state action on the hard surface.
基金Supported by the National Natural Science Foundation of China under Grant No 51532007the Major Projects of Zhejiang Province under Grant No 2013C01037the Foundation of State Key Lab of Silicon Materials
文摘A nano-structured surface is formed on the pyramid structure of n-type silicon solar cells by size-controlled silver nano-particle assisted etching. Such a nano-structure creates a front average weighted reflectance of less than 2.5% in the 300-1200nm range due to the broadband reflection suppression. The sodium hydroxide is used to obtain the low-area surface by post-etching the nano-structure, thus the severe carrier recombination associated with the nano-structured surface could be reduced. After emitter forming, screen printing and firing by means of the industrial fabrication protocol, an 18.3%-efficient nano-structured silicon solar cell with rear emitter is fabricated. The process of fabricating the solar cells matches well with industrial manufacture and shows promising prospects.
文摘A silane containing isocynate groups（3-（trimethoxysilyl） propyl cyanic acid ester,NCO） associated with hexamethyldisilazane（HDMS） is used to modify the surface of poly-（p-phenylene terephthalamide）（PPTA） pulps. As concerns surface chemistry,Attenuated Total Reflection Flourier Transformed Infrared Spectroscopy（ATR FT-IR） and X-ray photoelectron spectroscopy（XPS） confirm that NCO associated with HDMS silylated PPTA pulp surface successfully. While the modified PPTA pulps are used as reinforcing fillers for silicone composites,the dispersibility and storage stability of the composites are improved as Mooney testing indicated. The silicone composites filled with modified PPTA pulps present a higher tensile strength and much higher broken elongation（3.30 MPa and 166.54%） than that with unmodified pulps（3.08 MPa and 68.47%）,respectively.
基金National Natural Science FOundation of China! (No. 59974010).
文摘For reducing the core loss of grain oriented silicon steel and improving its aging property, a new method, the LLSA by using Sb as the laser surface alloying element, was investigated, and at proper technique conditions rather good result was obtained.
基金the Scientific Research Foundation for the Returned Overseas Chinese Scholars (State Education Ministry)"Hundreds-Talent Program" of the Chinese Academy of Sciences
文摘In this paper, the adsorption of Ag^＋ and hydrated Ag^＋ cations on clean Si（111） surface were investigated by using cluster （Gaussian 03） and periodic （DMol^3） ab initio calculations. Si（111） surface was described with cluster models （Si14H17 and Si22H21） and a four-silicon layer slab with periodic boundary conditions. The effect of basis set superposition error （BSSE） was taken into account by applying the counterpoise correction. The calculated results indicated that the binding energies between hydrated Ag^＋ cations and clean Si（111） surface are large, suggesting a strong interaction between hydrated Ag^＋ cations and the semiconductor surface. With the increase of number, water molecules form hydrogen bond network with one another and only one water molecule binds directly to the Ag^＋ cation. The Ag^＋ cation in aqueous solution will safely attach to the clean Si（111） surface.
基金Supported by the National Natural Science Foundation of China(No.20633060)
文摘To study the adsorption behavior of Cu^＋ in aqueous solution on semiconductor surface, the interactions of Cu^＋ and hydrated Cu^＋ cations with the clean Si（111） surface were investigated via hybrid density functional theory（B3LYP） and Moller-Plesset second-order perturbation（MP2） method. The clean Si（111） surface was described with cluster models（Si14H17, Si16H20 and Si22H21） and a four-silicon layer slab under periodic boundary conditions. Calculation results indicate that the bonding nature of adsorption of Cu^＋ on Si surface can be viewed as partial covalent as well as ionic bonding. The binding energies between hydrated Cu^＋ cations and Si（111） surface are large, suggesting a strong interaction between them. The coordination number of Cu^＋（H2O）n on Si（111） surface was found to be 4. As the number of water molecules is larger than 5, water molecules form a hydrogen bond network. In aqueous solution, Cu^＋ cations will safely attach to the clean Si（111） surface.
基金Project supported by the Shandong Provincial Natural Science Foundation,China(Grant Nos.ZR2022MA025 and ZR2020MA077).
文摘The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments.
基金Simone Ciampi and Melanie Macgregor acknowledge support from the Australian Research Council(Grant Nos.DP220100553,FT190100148,and FT200100301)the instruments and expertise of Microscopy Australia at the Future Industries Institute,University of South Australia,enabled by NCRIS,university,and state government support.
文摘Triboelectric nanogenerators(TENGs)are advanced devices designed to harness mechanical energy from various sources such as vibrations,friction,or shear and convert it into electrical energy.Schottkybased tribovoltaic nanogenerators(TVNGs)are a type of TENG that incorporates a semiconductor-metal barrier,known as a Schottky barrier,into their design.This barrier aids in rectifying the generated electrical output,eliminating the need for external current rectification circuits.Further,silicon-based Schottky TVNGs can leverage existing surface functionalization procedures to improve device output and durability.Almost without exception,these procedures commence with an oxide-free and hydrogen-terminated silicon surface(Si-H).Replacing hydrogen with its heavier isotope deuterium(Si-D)does not hinder access to established surface chemistry procedures,and based on previous reports the isotope exchange is likely to improve resistance of the non-oxide semiconductor against its anodic decomposition.In this report we have developed the optimal surface chemistry procedures for preparing Si-D surfaces and explored to what extent this isotope effect translates into improved performances and durability of Schottky TVNGs.Our findings reveal that the maximum current output of TVNGs constructed on Si-D Si(111)crystals is comparable to that of mainstream Si-H devices.Additionally,we highlight a generally higher density of surface electrical defects in Si-D compared to Si-H,and verify the contribution of a flexoelectric term to the mechanic-to-electrical energy conversion mechanism.Ultimately,our experiments demonstrate that the primary advantage of replacing hydrogen with deuterium lies in enhancing device longevity.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11874242,11804196,and 11804197)
文摘The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy（XPS） and the x-ray absorption near-edge structure（XANES） spectra of the interfacial structure of an s-triazine molecule adsorbed on Si（100） surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si（100） surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations.
基金Funded by the National Natural Science Foundation of China(Nos.51275490,and 51475346)Specialized Research Fund for the Doctoral Program of Higher Education of China(20131420120002)Shanxi Province Science Foundation(2013011025-1)
文摘The selection of milling tools for Si C14Cu4Mg0.5Si based on Aluminium matrix 2A14 was analyzed, and the factors that affect the efficiency of the milling were discussed. The Si C14Cu4Mg0.5Si was designed for use on the moon landing vehicle or missile wings, but the hardness of aluminium-silicon carbide composite material was very high, much higher than the general hardness of cemented carbide, which will bring many difficulties in the aluminium-silicon carbide composite material processing. The chemical compositions of Si C14Cu4Mg0.5Si were analyzed. A new selected indexable cutter was designed to mill Si C14Cu4Mg0.5Si. The structure design of milling cutter was different from the conventional milling cutter, breaking the previous limitations to a certain extent, pioneering the idea. The tool material wear was detected by experiments. The mechanical and physical properties of Si C14Cu4Mg0.5Si were also tested. Si C14Cu4Mg0.5Si exhibited different surface quality characteristics under different milling tools.
文摘The adsorption of a half monolayer of Mg atoms on the Si（100）-（2×1） surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atoms on the different sites are calculated.It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si（100）-（2×1） surface and a metastable shallow site also exists above the surface.This is in agreement with the experimental results.The charge transfer and the layer projected density of states are also studied.
基金support from the National Natural Science Foundation of China(Nos.21825402 and 22074101)the Natural Science Foundation of Jiangsu Province of China(No.BK20191417)111 Project as well as the Collaborative Innovation Center of Suzhou Nano Science and Technology(NANO-CIC).
文摘The production of bimetallic nanoparticles with ultrasmall sizes is the constant pursuit in chemistry and materials science because of their promising applications in catalysis,electronics and sensing.Here we report ambient-temperature preparation of bimetallic NPs with tunable size and composition using microfluidic-controlled co-reduction of two metal precursors on silicon surface.Instead of free diffusion of metal ions in bulk system,microfluidic flow could well control the local ions concentration,thus leading to homogenous and controllable reduction rate among different nucleation sites.By controlling precursor concentration,flow rate and reaction time,we rationally design a series of bimetallic NPs including Ag-Cu,Ag-Pd,Cu-Pt,Cu-Pd and Pt-Pd NPs with ultrasmall sizes(~3.0 nm),tight size distributions(relative standard deviation(RSD)<21%),clean surface,and homogenous elemental compositions among particles(standard deviation(SD)of weight ratios<3.5%).This approach provides a facile,green and scalable method toward the synthesis of diverse bimetallic NPs with excellent activity.
