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六方亚稳相ReO_(3)的高压合成和调控
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作者 王宁宁 单鹏飞 +2 位作者 崔琦 王罡 程金光 《高压物理学报》 CAS CSCD 北大核心 2024年第5期80-84,共5页
ReO_(3)具有A位缺失的立方钙钛矿结构,在压力下会经历系列结构相变。近期,通过高压低温电阻测试,发现其高压R-I相(空间群为R3^(-)c)具有高达17 K的超导转变温度。为探索新型Re氧化物超导体,采用ReO_(3)为前驱体,在10 GPa和600℃的高压... ReO_(3)具有A位缺失的立方钙钛矿结构,在压力下会经历系列结构相变。近期,通过高压低温电阻测试,发现其高压R-I相(空间群为R3^(-)c)具有高达17 K的超导转变温度。为探索新型Re氧化物超导体,采用ReO_(3)为前驱体,在10 GPa和600℃的高压高温条件下制备了具有六方对称性(空间群为P6_(3)22)的亚稳相,并在常压下对其晶体结构、磁性和电输运性质进行了表征。实验发现,六方亚稳相的电阻在常压下250 K附近出现明显异常,温度低至2 K时仍未出现超导现象。高压电阻测试表明:常压下250 K附近ReO_(3)的电阻异常迅速消失,亚稳相表现出典型的金属行为;在62 GPa的高压条件下,温度低至1.5 K时仍未出现超导电性。 展开更多
关键词 高压高温合成 钙钛矿 reo_(3) 高压调控 超导
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Achieving structurally stable O3-type layered oxide cathodes through site-specific cation-anion co-substitution for sodium-ion batteries
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作者 Yihao Shen Chen Cheng +5 位作者 Xiao Xia Lei Wang Xi Zhou Pan Zeng Jianrong Zeng Liang Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期411-418,I0011,共9页
O3-type layered oxides have garnered great attention as cathode materials for sodium-ion batteries because of their abundant reserves and high theoretical capacity.However,challenges persist in the form of uncontrolla... O3-type layered oxides have garnered great attention as cathode materials for sodium-ion batteries because of their abundant reserves and high theoretical capacity.However,challenges persist in the form of uncontrollable phase transitions and intricate Na^(+)diffusion pathways during cycling,resulting in compromised structural stability and reduced capacity over cycles.This study introduces a special approach employing site-specific Ca/F co-substitution within the layered structure of O_(3)-NaNi_(0.5)Mn_(0.5)O_(2) to effectively address these issues.Herein,the strategically site-specific doping of Ca into Na sites and F into O sites not only expands the Na^(+)diffusion pathways but also orchestrates a mild phase transition by suppressing the Na^(+)/vacancy ordering and providing strong metal-oxygen bonding strength,respectively.The as-synthesized Na_(0.95)Ca_(0.05)Ni_(0.5)Mn_(0.5)O_(1.95)F_(0.05)(NNMO-CaF)exhibits a mild O3→O3+O'3→P3 phase transition with minimized interlayer distance variation,leading to enhanced structural integrity and stability over extended cycles.As a result,NNMO-CaF delivers a high specific capacity of 119.5 mA h g^(-1)at a current density of 120 mA g^(-1)with a capacity retention of 87.1%after 100 cycles.This study presents a promising strategy to mitigate the challenges posed by multiple phase transitions and augment Na^(+)diffusion kinetics,thus paving the way for high-performance layered cathode materials in sodium-ion batteries. 展开更多
关键词 Sodium-ion batteries O3-type layered oxides Site-specific co-doping Phase transition
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Designing ultrastable P2/O3-type layered oxides for sodium ion batteries by regulating Na distribution and oxygen redox chemistry
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作者 Jieyou Huang Weiliang Li +3 位作者 Debin Ye Lin Xu Wenwei Wu Xuehang Wu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第7期466-476,共11页
P2/O3-type Ni/Mn-based layered oxides are promising cathode materials for sodium-ion batteries(SIBs)owing to their high energy density.However,exploring effective ways to enhance the synergy between the P2 and 03 phas... P2/O3-type Ni/Mn-based layered oxides are promising cathode materials for sodium-ion batteries(SIBs)owing to their high energy density.However,exploring effective ways to enhance the synergy between the P2 and 03 phases remains a necessity.Herein,we design a P2/O3-type Na_(0.76)Ni_(0.31)Zn_(0.07)Mn_(0.50)Ti_(0.12)0_(2)(NNZMT)with high chemical/electrochemical stability by enhancing the coupling between the two phases.For the first time,a unique Na*extraction is observed from a Na-rich O3 phase by a Na-poor P2 phase and systematically investigated.This process is facilitated by Zn^(2+)/Ti^(4+)dual doping and calcination condition regulation,allowing a higher Na*content in the P2 phase with larger Na^(+)transport channels and enhancing Na transport kinetics.Because of reduced Na^(+)in the O3 phase,which increases the difficulty of H^(+)/Na^(+) exchange,the hydrostability of the O3 phase in NNZMT is considerably improved.Furthermore,Zn^(2+)/Ti^(4+)presence in NNZMT synergistically regulates oxygen redox chemistry,which effectively suppresses O_(2)/CO_(2) gas release and electrolyte decomposition,and completely inhibits phase transitions above 4.0 V.As a result,NNZMT achieves a high discharge capacity of 144.8 mA h g^(-1) with a median voltage of 3.42 V at 20 mA g^(-1) and exhibits excellent cycling performance with a capacity retention of 77.3% for 1000 cycles at 2000 mA g^(-1).This study provides an effective strategy and new insights into the design of high-performance layered-oxide cathode materials with enhanced structure/interface stability forSIBs. 展开更多
关键词 Sodium-ion batteries P2/O3-type layered oxides Na distribution Oxygen redox chemistry Hydrostability
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Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system 被引量:3
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作者 谢佑卿 李小波 +2 位作者 刘心笔 聂耀庄 彭红建 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第11期3585-3610,共26页
Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing exp... Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound. 展开更多
关键词 AuCu3 compound AuCu3-type sublattice system alloy gene Gibbs energy partition function equilibrium holographic network phase diagram systematic metal materials science
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First-principles investigations of structural, mechanical, electronic and optical properties of U_3Si_2-type AlSc_2Si_2 under high pressure
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作者 张旭东 王峰 姜伟 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2017年第1期148-156,共9页
The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants a... The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants and elastic moduli indicate that AlSc2Si2 keeps mechanical stability under high pressure. The mechanical properties of AISc2Si2 are compared with those of Al3Sc. The results indicate that AlSc2Si2 is harder than AI3Sc. Anisotropic constant AU and 3D curved surface of elastic moduli predict that AISc2Si2 is obviously anisotropic under pressure. The electronic structure of AlSc2Si2 exhibits metallic character and the metallicity decreases with the elevated pressure. In addition, optical properties as a function of pressure were calculated and analyzed. The present work provides theoretical support for further experimental work and industrial applications. 展开更多
关键词 U3Si2-type AlSc2Si2 mechanical properties electronic structure optical properties first-principles calculations
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Fluorine-substituted O3-type NaNi_(0.4)Mn_(0.25)Ti_(0.3)Co_(0.05)O_(2-x)F_(x) cathode with improved rate capability and cyclic stability for sodium-ion storage at high voltage 被引量:5
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作者 Chaojin Zhou Lichun Yang +4 位作者 Chaogang Zhou Jiangwen Liu Renzong Hu Jun Liu Min Zhu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第9期341-350,共10页
O3-type Na NiO_(2)-based cathode materials undergo irreversible phase transition and serious capacity decay at high voltage above 4.0 V in sodium-ion batteries. To address these challenges, effects of Fsubstitution on... O3-type Na NiO_(2)-based cathode materials undergo irreversible phase transition and serious capacity decay at high voltage above 4.0 V in sodium-ion batteries. To address these challenges, effects of Fsubstitution on the structure and electrochemical performance of Na Ni_(0.4)Mn_(0.25)Ti_(0.3)Co_(0.05)O_(2) are investigated in this article. The F-substitution leads to expanding of interlayer, which can enhance the mobility of Na+. NaNi_(0.4)Mn_(0.25)Ti_(0.3)Co_(0.05)O_(1.92)F_(0.08)(NMTC-F_(0.08)) with the optimal F-substitution degree exhibits much improved rate capability and cyclic stability. It delivers reversible capacities of 177 and 97 m Ah g^(-1) at 0.05 and 5 C within 2.0–4.4 V, respectively. Galvanostatic intermittent titration technique verifies faster kinetics of Na+diffusion in NMTC-F_(0.08). And in-situ XRD investigation reveals the phase evolution of NMTC-F_(0.08), indicating enhanced structural stability results from F-substitution. This study may shed light on the development of high performance cathode materials for sodium-ion storage at high voltage. 展开更多
关键词 F-substitution Sol-gel method O3-type cathode Sodium-ion battery High-voltage cathode
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Comparative structural and electrochemical properties of mixed P2/O′3-layered sodium nickel manganese oxide prepared by sol-gel and electrospinning methods:Effect of Na-excess content 被引量:2
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作者 Thongsuk Sichumsaeng Atchara Chinnakorn +3 位作者 Ornuma Kalawa Jintara Padchasri Pinit Kidkhunthod Santi Maensiri 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2023年第10期1887-1896,共10页
The effect of Na-excess content in the precursor on the structural and electrochemical performances of sodium nickel manganese oxide(NNMO)prepared by sol-gel and electrospinning methods is investigated in this paper.X... The effect of Na-excess content in the precursor on the structural and electrochemical performances of sodium nickel manganese oxide(NNMO)prepared by sol-gel and electrospinning methods is investigated in this paper.X-ray diffraction results of the prepared NNMO without adding Na-excess content indicate sodium loss,while the mixed phase of P2/O′3-type layered NNMO presented after adding Na-excess content.Compared with the sol-gel method,the secondary phase of NiO is more suppressed by using the electrospinning method,which is further confirmed by field emission scanning electron microscope images.N_(2) adsorption-desorption isotherms show no remarkably difference in specific surface areas between different preparation methods and Na-excess contents.The analysis of X-ray absorption near edge structure indicates that the oxidation states of Ni and Mn are+2 and+4,respectively.For the electrochemical properties,superior electrochemical performance is observed in the NNMO electrode with a low Na-excess content of 5wt%.The highest specific capacitance is 36.07 F·g^(-1)at0.1 A·g^(-1)in the NNMO electrode prepared by using the sol-gel method.By contrast,the NNMO electrode prepared using the electrospinning method with decreased Na-excess content shows excellent cycling stability of 100%after charge-discharge measurements for 300 cycles.Therefore,controlling the Na excess in the precursor together with the preparation method is important for improving the electrochemical performance of Na-based electrode materials in supercapacitors. 展开更多
关键词 sodium nickel manganese oxide mixed P2/O′3-type Na-excess content sol-gel method electrospinning method electrochemical properties
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Effect of B and Fe substitution on structure of AB_3-type Co-free hydrogen storage alloy
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作者 吴锋 张旻昱 穆道斌 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2010年第10期1885-1891,共7页
A series of hydrogen storage Co-free AB3-type alloys were directly synthesized with vacuum mid-frequency melting method,within which Ni of La0.7Mg0.3Ni3 alloy was substituted by Fe,B and(FeB) alloy,respectively.Alloys... A series of hydrogen storage Co-free AB3-type alloys were directly synthesized with vacuum mid-frequency melting method,within which Ni of La0.7Mg0.3Ni3 alloy was substituted by Fe,B and(FeB) alloy,respectively.Alloys were characterized by XRD,EDS and SEM to investigate the effects of B and Fe substitution for Ni on material structure.The content of LaMg2Ni9 phase within La0.7Mg0.3Ni3 alloy reaches 37.9% and that of La0.7Mg0.3Ni2.9(FeB)0.1 alloys reduces to 23.58%.Among all samples,ground particles with different shapes correspond to different phases.The major substitution occurs in LaMg2Ni9 phase.Electrochemical tests indicate that substituted alloys have different electrochemical performance,which is affected by phase structures of alloy.The discharge capacity of La0.7Mg0.3Ni3 alloy reaches 337.3 mA·h/g,but La0.7Mg0.3Ni2.9(FeB)0.1 alloy gets better high rate discharge(HRD) performance at the discharge rate of 500 mA/g with a high HRD value of 73.19%. 展开更多
关键词 Ni-MH battery AB3-type B substitution Co-free hydrogen storage alloy
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Effect of Rare Earth Elements on Structure and Electrochemical Properties of PuNi_3-type Hydrogen Storage Alloys
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作者 张法亮 罗永春 +1 位作者 阎汝煦 陈剑虹 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第S1期343-349,共7页
Structure and electrochemical properties of (La, Ce, Pr, Nd)_2MgNi_9 hydrogen storage alloys were investigated through orthogonal design experiments, and the alloys were obtained through induction melting followed by ... Structure and electrochemical properties of (La, Ce, Pr, Nd)_2MgNi_9 hydrogen storage alloys were investigated through orthogonal design experiments, and the alloys were obtained through induction melting followed by annealing treatment. The structure of main phase in alloys belongs to PuNi_3-type with a space group R3m. Rare earth elements, as a substitute of lanthanum, have a significant effect on phase structure of alloys, elements of cerium and neodymium are beneficial to the formation of Gd_2Co_7-type phase with a space group P 6_3/mmc. Rare earth elements can decrease the unit cell volume of main phase of alloys dramatically, and increase the axis ratio. The results of electrochemical experiment showed that the discharge capacity of alloy electrodes ranged from 342.97 to 380.68 mAh·g -1, and elements of cerium and neodymium can reduce the discharge capacity of alloy electrodes significantly. Compared to the electrode of La_2MgNi_9 alloy, the substitution of lanthanum by rare earth elements did not improve the cyclic stability of alloy electrodes due to the anisotropic structure change of unit cell. While rare-earth elements can improve the high rate dischargeability of alloy electrodes, the high rate dischargeability of alloy electrodes could reach the maximum when the unit cell volume of PuNi_3-type structure was about 0532 nm. 展开更多
关键词 hydrogen storage alloy PuNi_3-type crystal structure electrochemical properties orthogonal experiment design
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Difficulties, strategies, and recent research and development of layered sodium transition metal oxide cathode materials for high-energy sodium-ion batteries 被引量:1
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作者 Kouthaman Mathiyalagan Dongwoo Shin Young-Chul Lee 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期40-57,I0003,共19页
Energy-storage systems and their production have attracted significant interest for practical applications.Batteries are the foundation of sustainable energy sources for electric vehicles(EVs),portable electronic devi... Energy-storage systems and their production have attracted significant interest for practical applications.Batteries are the foundation of sustainable energy sources for electric vehicles(EVs),portable electronic devices(PEDs),etc.In recent decades,Lithium-ion batteries(LIBs) have been extensively utilized in largescale energy storage devices owing to their long cycle life and high energy density.However,the high cost and limited availability of Li are the two main obstacles for LIBs.In this regard,sodium-ion batteries(SIBs) are attractive alternatives to LIBs for large-scale energy storage systems because of the abundance and low cost of sodium materials.Cathode is one of the most important components in the battery,which limits cost and performance of a battery.Among the classified cathode structures,layered structure materials have attracted attention because of their high ionic conductivity,fast diffusion rate,and high specific capacity.Here,we present a comprehensive review of the classification of layered structures and the preparation of layered materials.Furthermore,the review article discusses extensively about the issues of the layered materials,namely(1) electrochemical degradation,(2) irreversible structural changes,and(3) structural instability,and also it provides strategies to overcome the issues such as elemental phase composition,a small amount of elemental doping,structural design,and surface alteration for emerging SIBs.In addition,the article discusses about the recent research development on layered unary,binary,ternary,quaternary,quinary,and senary-based O3-and P2-type cathode materials for high-energy SIBs.This review article provides useful information for the development of high-energy layered sodium transition metal oxide P2 and O3-cathode materials for practical SIBs. 展开更多
关键词 O3-type P2-type Cathode materials Sodium-ion batteries Layered structure
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Effects of Cr_3C_2 content and wheel speed on amorphization behavior of melt-spun SmCo_(7-x)(Cr_3C_2)_x alloys
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作者 李丽娅 易健宏 +2 位作者 李爱坤 彭元东 夏庆林 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第5期1118-1122,共5页
The effects of the Cr3C2 content and wheel speed on the amorphization behavior of the melt-spun SmCo7-x(Cr3C2)x (x=0.10-0.25) alloys were studied systematically by X-ray diffraction analysis (XRD), differential ... The effects of the Cr3C2 content and wheel speed on the amorphization behavior of the melt-spun SmCo7-x(Cr3C2)x (x=0.10-0.25) alloys were studied systematically by X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC) and magnetic measurements. The ribbon melt-spun at lower wheel speed (20 m/s) has composite structure composed of mostly SmCo7 and a small amount of Sm2Co17R. The grain size of SmCo7 phase decreases with the increase of Cr3C2 content. With the increase of wheel speed, the XRD peaks become lower and accompanied with a broad increase in backgrounds, indicating a considerable decrease in the grain size of the SmCo7 phase. When the wheel speed increases to 40 m/s, SmCo7-x(Cr3C2)x alloys can be obtained in the amorphous state for 0.15≤x≤0.25 with intrinsic coercive Hci of 0.004-0.007 T. The DSC analysis reveals that SmCo7 phase firstly precipitates from the amorphous matrix at 650 °C, followed by the crystallization of Sm2Co17 phase at 770 °C. 展开更多
关键词 SmCo7-type permanent magnets CR3C2 melt spinning amorphization hysteresis loops
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A water-stable high-voltage P3-type cathode for sodium-ion batteries
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作者 Shengyu Zhao Xuan Yu Yufeng Zhao 《Chinese Chemical Letters》 SCIE CAS CSCD 2024年第9期507-513,共7页
The Na-deficient P3-type layered oxide cathode material usually experience complex in-plane Na^(+)/vacancy ordering rearrangement and undesirable P3-O3 phase transitions in the high-voltage region,leading to inferior ... The Na-deficient P3-type layered oxide cathode material usually experience complex in-plane Na^(+)/vacancy ordering rearrangement and undesirable P3-O3 phase transitions in the high-voltage region,leading to inferior cycling performance.Additionally,they exhibit unsatisfactory stability when exposed to water for extended periods.To address these challenges,we propose a Cu/Ti co-doped P3-type cathode material(Na_(0.67)Ni_(0.3)Cu_(0.03)Mn_(0.6)Ti_(0.07)O_(2)),which effectively mitigates Na^(+)/vacancy ordering and suppresses P3-O3 phase transitions at high voltages.As a result,the as-prepared sample exhibited outstanding cyclic performance,with 81.9%retention after 500 cycles within 2.5–4.15 V,and 75.7%retention after300 cycles within 2.5–4.25 V.Meanwhile,it demonstrates enhanced Na^(+)transport kinetics during desodiation/sodiation and reduced growth of charge transfer impedance(R_(ct))after various cycles.Furthermore,the sample showed superb stability against water,exhibiting no discernible degradation in structure,morphology,or electrochemical performance.This co-doping strategy provides new insights for innovative and prospective cathode materials. 展开更多
关键词 Sodium ion batteries P3-type materials Phase transition Na^(+)/vacancy ordering Water-stable cathode
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Aluminum solubility in bridgmanite up to 3000 K at the top lower mantle
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作者 Zhaodong Liu Ran Liu +7 位作者 Yucheng Shang Fangren Shen Luyao Chen Xuyuan Hou Mingguang Yao Tian Cui Bingbing Liu Tomoo Katsura 《Geoscience Frontiers》 SCIE CAS CSCD 2021年第2期929-935,共7页
The temperature dependence of the Al2O3 solubility in bridgmanite has been determined in the system MgSiO3–Al_(2)O_(3)at temperatures of 2750–3000 K under a constant pressure of 27 GPa using a multi-anvil apparatus.... The temperature dependence of the Al2O3 solubility in bridgmanite has been determined in the system MgSiO3–Al_(2)O_(3)at temperatures of 2750–3000 K under a constant pressure of 27 GPa using a multi-anvil apparatus.Bridgmanite becomes more aluminous with increasing temperatures.A LiNbO3-type phase with a pyrope composition(Mg_(3)Al_(2)Si_(3)O_(12))forms at 2850 K,which is regarded as to be transformed from bridgmanite upon decompression.This phase contains 30 mol%Al_(2)O_(3)at 3000 K.The MgSiO3 solubility in corundum also increases with temperatures,reaching 52 mol%at 3000 K.Molar volumes of the hypothetical Al_(2)O_(3)bridgmanite and MgSiO_(3)corundum are constrained to be 25.950.05 and 26.24±0.06 cm^(3)/mol,respectively,and interaction parameters of non-ideality for these two phases are 5.6±0.5 and 2.2±0.5 KJ/mol,respectively.The increases in Al^(2)O^(3)and MgSiO^(3)contents,respectively,in bridgmanite and corundum are caused by a larger entropy of Al_(2)O_(3)bridgmanite plus MgSiO_(3)corundum than that of MgSiO_(3)bridgmanite plus Al_(2)O_(3)corundum with temperature,in addition to the configuration entropy.Our study may help explain dynamics of the top lower mantle and constrain pressure and temperature conditions of shocked meteorites. 展开更多
关键词 Bridgmanite LiNbO_(3)-type phase CORUNDUM Temperature ENTROPY Lower mantle
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Compounds consisting of coplanar π-conjugated B_(3)O_(6)-typed structures:An emerging source of ultraviolet nonlinear optical materials
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作者 Lingli Wu Huixin Fan +1 位作者 Chensheng Lin Min Luo 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2023年第1期64-73,共10页
Nonlinear optical(NLO)materials as a crucial part of the laser science have attracted increasing attention from researchers because of their wide applications in information storages,modern science and technologies,et... Nonlinear optical(NLO)materials as a crucial part of the laser science have attracted increasing attention from researchers because of their wide applications in information storages,modern science and technologies,et al.Based on the anionic group theory,theπ-conjugated 6-membered rings(6-MRs),B_(3)O_(6)-typed structures have key contributions to the superior optical properties ofβ-Ba_(2)B_(2)O_(4)(β-BBO).In recent years,the organic coplanarπ-conjugated B_(3)O_(6)-typed structures have caught researchers'attention due to similar configurations to the(B_(3)O_(6))groups,which are the potential sources for expending the(B_(3)O_(6))groups with outstanding optical properties.Up to know,researchers have obtained many ultraviolet(UV)NLO crystals with excellent properties withπ-conju-gated B_(3)O_(6)-typed groups.Herein,these B_(3)O_(6)-typed groups could be divided into different categories according to the atoms constituting the 6-MRs:(H_(x)C_(3)N_(3)O_(3))^(x-3)(x=0-3)(cyanurate ion),(H_(x)C_(4)N_(2)O_(3))^(x-4)(x=2,3)(barbi-turate ion),(C_(3)H_(7)N_(6))^(+)(melamine ion),(C_(5)H_(6)ON)^(+)(4-hydroxypyridine cation),and(C_(4)H_(6)N_(3))^(+)(2-amino-pyrimidinium cation).In this review,we introduced the research advances of NLO materials withπ-conjugated B_(3)O_(6)-typed groups,and summarized the crystal structures,synthetic methods,optical performances,as well as the relationships between structures and properties.This work provided a clear perspective for understanding the coplanarπ-conjugated B_(3)O_(6)-typed groups with their optical functional properties and promote the searches to develop potential NLO functional crystals. 展开更多
关键词 NLO crystals B_(3)O_(6)-typed structures π-conjugated Anionic group theory
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Influences of low-Ti substitution for La and Mg on the electrochemical and kinetic characteristics of AB_3-type hydrogen storage alloy electrodes 被引量:2
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作者 DONG ZhenWei1,2,WU YaoMing1,MA LiQun2,SHEN XiaoDong2 & WANG LiMin1 1 State Key Laboratory of Rare Earth Resource Utilization,Changchun Institute of Applied Chemistry,Chinese Academy of Sciences,C hangchun 130022,China 2 College of Material Science and Engineering,Nanjing University of Technology,Nanjing 210009,China 《Science China(Technological Sciences)》 SCIE EI CAS 2010年第1期242-247,共6页
The(La0.67Mg0.33)1-xTixNi2.75Co0.25(x = 0,0.05,0.10,0.15 and 0.20,at%) alloys were synthesized by arc melting and subsequent heat solid-liquid diffusing method.The structure,electrochemical properties and kinetic char... The(La0.67Mg0.33)1-xTixNi2.75Co0.25(x = 0,0.05,0.10,0.15 and 0.20,at%) alloys were synthesized by arc melting and subsequent heat solid-liquid diffusing method.The structure,electrochemical properties and kinetic characteristics of the alloys were investigated systematically.The results showed that all the alloys mainly consisted of the(La,Mg)Ni3,LaNi5 phases,and the lattice parameters and the cell volumes of the(La,Mg)Ni3 and LaNi5 phases decreased with increasing Ti content.The alloy electrodes could be activated to reach their maximum discharge capacity within five cycles.The cycle life after 100 charge/discharge cycles(C100/Cmax) and the high-rate dischargeability at a discharge current density of 1200 mA/g first increased and then decreased.All the results showed that low-Ti content in AB3-type hydrogen storage alloys was beneficial to improvements of the overall electrochemical properties,and the optimum overall electrochemical performance of the alloy electrodes was obtained when x = 0.05. 展开更多
关键词 AB3-type alloy metal HYDRIDE electrode microstructure ELECTROCHEMICAL property KINETIC characteristic
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Machine learning assisted discovering of new M_(2)X_(3)-type thermoelectric materials 被引量:4
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作者 Du Chen Feng Jiang +3 位作者 Liang Fang Yong-Bin Zhu Cai-Chao Ye Wei-Shu Liu 《Rare Metals》 SCIE EI CAS CSCD 2022年第5期1543-1553,共11页
Recent years have witnessed a continuous discovering of new thermoelectric materials which has experienced a paradigm shift from try-and-error efforts to experience-based discovering and first-principles calculation. ... Recent years have witnessed a continuous discovering of new thermoelectric materials which has experienced a paradigm shift from try-and-error efforts to experience-based discovering and first-principles calculation. However, both the experiment and first-principles calculation deriving routes to determine a new compound are time and resources consuming. Here, we demonstrated a machine learning approach to discover new M_(2)X_(3)-type thermoelectric materials with only the composition information. According to the classic Bi_(2)Te_(3) material, we constructed an M_(2)X_(3)-type thermoelectric material library with 720 compounds by using isoelectronic substitution, in which only 101 compounds have crystalline structure information in the Inorganic Crystal Structure Database(ICSD) and Materials Project(MP) database. A model based on the random forest(RF) algorithm plus Bayesian optimization was used to explore the underlying principles to determine the crystal structures from the known compounds. The physical properties of constituent elements(such as atomic mass, electronegativity, ionic radius) were used to define the feature of the compounds with a general formula ^(1)M^(2)M^(1)X^(2)X^(3)X(^(1)M +^(2)M:^(1)X +^(2)X+^(3)X = 2:3). The primary goal is to find new thermoelectric materials with the same rhombohedral structure as Bi_(2)Te_(3) by machine learning.The final trained RF model showed a high accuracy of 91% on the prediction of rhombohedral compounds. Finally, we selected four important features to proceed with the polynomial fitting with the prediction results from the RF model and used the acquired polynomial function to make further discoveries outside the pre-defined material library. 展开更多
关键词 Thermoelectric materials M_(2)X_(3)-type material library Random forest(RF)algorithm Bayesian optimization Machine learning
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In sight of K-deficient layered K_(x)MnO_(2) cathode for potassium-ions batteries 被引量:2
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作者 Tiezhong Liu Shuang Hou +5 位作者 Youpeng Li Shoufeng Xue Junhua Hu Haikuo Fu Chenghao Yang Lingzhi Zhao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第1期335-343,I0009,共10页
Potassium-ions batteries(PIBs)are attracting increasing attention as up-and-coming youngster in largescale grid-level energy storage benefiting from its low-cost and high energy density.Nevertheless,enough researches ... Potassium-ions batteries(PIBs)are attracting increasing attention as up-and-coming youngster in largescale grid-level energy storage benefiting from its low-cost and high energy density.Nevertheless,enough researches regarding indispensable cathode materials for PIBs are badly absent.Herein,we synthesize K-deficient layered manganese-based oxides(P2-K_(0.21)MnO_(2) and P3-K_(0.23)MnO_(2))and investigate them as cathode of PIBs for the first time.As the newcomer of potassium-containing layered manganese-based oxides(K_(x)MnO_(2))group,P2-K_(0.21)MnO_(2) delivers high discharge capacity of 99.3 mAh g^(-1) and P3-K_(0.23)MnO_(2) exhibits remarkable capacity retention rate of 75.5%.Besides,in-situ XRD and ex-situ XRD measurements reveal the reversible phase transition of P2-K_(0.21)MnO_(2) and P3-K_(0.23)MnO_(2) with the potassium-ions extraction and reinsertion,respectively.This work contributes to a better understanding for the potassium storage in K-deficient layered K_(x)MnO_(2)(x≤0.23),possessing an important basic scientific significance for the exploitation and application of layered K_(x)MnO_(2) in PIBs. 展开更多
关键词 Potassium-ions battery CATHODE Layered K_(x)MnO_(2) P2/P3-type structure Low potassium content
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Lead-free 0-3-type composites:From piezoelectric sensitivity to modified figures of merit
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作者 Ashura N.Isaeva Vitaly Yu.Topolov 《Journal of Advanced Dielectrics》 CAS 2021年第2期6-14,共9页
Effective piezoelectric properties,electromechanical coupling factors(ECF)and figures of merit(FOM)are studied in leadfree 0-3-type composites based on novel ferroelectric 0.965(K_(0.48)Na_(0.52))(Nb_(0.96)Sb_(0.04))O... Effective piezoelectric properties,electromechanical coupling factors(ECF)and figures of merit(FOM)are studied in leadfree 0-3-type composites based on novel ferroelectric 0.965(K_(0.48)Na_(0.52))(Nb_(0.96)Sb_(0.04))O_(3)-0.035Bi_(0.5)Na_(0.5)Zr_(0.15)Hf_(0.75)O_(3) ceramic.Systems of prolate ceramic inclusions are surrounded by a large polymer matrix that can be either monolithic(in the 0-3 composite)or porous(in the 0-3-0 composite).Non-monotonic volume-fraction dependences of the effective piezoelectric coefficients g_(3j)^(*),ECF k_(3j)^(*),squared FOM d_(3j)^(*)g_(3j)^(*)and their modified analogs for stress-driven systems are analysed,and examples of the high longitudinal piezoelectric sensitivity(g33^(*)>100 mV.m/N)are considered.A role of microgeometrical factors,that promote the large effective parameters and anisotropy of properties in the 0-3-type composites,is highlighted.New“aspect ratio-volume fraction”diagrams are first built to describe conditions for high piezoelectric sensitivity,large modified FOM and their anisotropy in the studied composites.These advanced materials can be of value for piezoelectric sensor,energy-harvesting and related applications. 展开更多
关键词 Lead-free 0-3-type composite piezoelectric properties figures of merit electromechanical coupling factors
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A wave of Foxp3^(+) regulatory T cell accumulation in the neonatal liver plays unique roles in maintaining self-tolerance 被引量:4
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作者 Mingyang Li Weijia Zhao +16 位作者 Yifan Wang Lixue Jin Gaowen Jin Xiuyuan Sun Wei Wang Ke Wang Xi Xu Jie Hao Rong Jin Wenxian Fu Ying Sun Yingjun Chang Xiaojun Huang Xuyu Zhou Hounan Wu Kunshan Zhang Qing Ge 《Cellular & Molecular Immunology》 SCIE CAS CSCD 2020年第5期507-518,共12页
Newborn animals require tightly regulated local and systemic immune environments to govern the development and maturation of multiple organs/tissues even though the immune system itself is far from mature during the n... Newborn animals require tightly regulated local and systemic immune environments to govern the development and maturation of multiple organs/tissues even though the immune system itself is far from mature during the neonatal period.Regulatory T cells(Tregs)are essential for maintaining immune tolerance/homeostasis and modulating inflammatory responses.The features of Tregs in the neonatal liver under steady-state conditions are not well understood.The present study aimed to investigate the phenotype,functions,and significance of neonatal Tregs in the liver.We found a wave of thymus-derived Treg influx into the liver during 1–2 weeks of age.Depletion of these Tregs between days 7 and 11 after birth rapidly resulted in Th1-type liver inflammation and metabolic disorder.More Tregs in the neonatal liver than in the spleen underwent MHC II-dependent activation and proliferation,and the liver Tregs acquired stronger suppressive functions.The transcriptomic profile of these neonatal liver Tregs showed elevated expression of PPARγand T-bet and features of Tregs that utilize lipid metabolic machinery and are capable of regulating Th1 responses.The accumulation of Tregs with unique features in the neonatal liver is critical to ensure self-tolerance and liver maturation. 展开更多
关键词 Neonatal period LIVER FOXP3 Treg cells Th1-type inflammation
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F-doped O3-NaNi_(1/3)Fe_(1/3)Mn_(1/3)O_2 as high-performance cathode materials for sodium-ion batteries 被引量:5
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作者 Qin Zhang Yangyang Huang +6 位作者 Yi Liu Shixiong Sun Kun Wang Yuyu Li Xiang Li Jiantao Han Yunhui Huang 《Science China Materials》 SCIE EI CSCD 2017年第7期629-636,共8页
The F-doped O3-type NaNi1/3Fe1/3Mn1/3O2-xFx (x = 0, 0.005, 0.01,002 and noted as NFM-F0, NFM-F0.005, NFM-F0.01, NFM-F0.02, respectively, united as NFM-Fs) cathode materials were investigated systematically. The rate... The F-doped O3-type NaNi1/3Fe1/3Mn1/3O2-xFx (x = 0, 0.005, 0.01,002 and noted as NFM-F0, NFM-F0.005, NFM-F0.01, NFM-F0.02, respectively, united as NFM-Fs) cathode materials were investigated systematically. The rate performance and capacity retention of the O3-type cathode materials are significantly improved as a function of specific F-doping levels. Optimum performance is achieved in the NFM-F0.01 material having a capacity of -110mAhg-1 at a current density of 150mAg-1 after 70 cycles. The results indicate that the binding energy of oxygen changes as a result of F-doping, and in addition, F-doping results in changes to the stoichiometry of Mn3+/Mn4+, which stabilizes the O3-type layered structure, thus allowing cycling performance to be improved. However, NFM-F0.02, having a higher F-doping level, retains a high capacity retention, although a slight loss is observed. The results suggest there is an optimum F-doping level for the NFM-F system to deliver enhanced cycling performance. 展开更多
关键词 O3-type NaNi1/3Fe1/3Mn1/3O2 F-doping sodium-ionbatteries
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