Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications ...Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability dielectric.The understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic composites.In this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the interface.Simulated results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high temperatures.When the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 K.Moreover,the average density,diffusion coefficient,and radial distri-bution function are found to be modified substantially.This study will shed light on the atom-istic investigations of the metal-ceramic composites.展开更多
The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-...The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-posite heterojunctions are successfully prepared by the alkaline dissolution etching method.The internal electric field at the interface of I-type and Z-scheme heterojunction improved the effective charge sepa-ration.The ZC 8 sample exhibits excellent photocatalytic performance and the H2 production efficiency is 15.67 mmol g^(−1) h^(−1) with good stability up to 82.9%in 24-hour cycles.The performance of CH_(4) and CO capacity in the CO_(2) RR process is 3.47μmol g^(−1) h^(−1) and 23.5μmol g^(−1) h^(−1),respectively.The photogener-ated accelerated charge transport is then examined in detail by in situ X-ray photoelectron spectroscopy(ISXPS)and density functional theory(DFT)calculations.This work presents a new idea for the synthe-sis of Cd_(x) Zn_(1-x) S solid-solution-based materials and provides a solid reference for the detailed mechanism regarding the electric field at the heterojunction interface.展开更多
Focusing on the low open circuit voltage(V_(OC))and fill factor(FF)in flexible Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells,indium(In)ions are introduced into the CZTSSe absorbers near Mo foils to modify the back interface...Focusing on the low open circuit voltage(V_(OC))and fill factor(FF)in flexible Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells,indium(In)ions are introduced into the CZTSSe absorbers near Mo foils to modify the back interface and passivate deep level defects in CZTSSe bulk concurrently for improving the performance of flexible device.The results show that In doping effectively inhibits the formation of secondary phase(Cu(S,Se)_(2))and VSndefects.Further studies demonstrate that the barrier height at the back interface is decreased and the deep level defects(Cu_(Sn)defects)in CZTSSe bulk are passivated.Moreover,the carrier concentration is increased and the V_(OC) deficit(V_(OC,def))is decreased significantly due to In doping.Finally,the flexible CZTSSe solar cell with 10.01%power conversion efficiency(PCE)has been obtained.The synergistic strategy of interface modification and bulk defects passivation through In incorporation provides a new thought for the fabrication of efficient flexible kesterite-based solar cells.展开更多
Rechargeable magnesium-ion(Mg-ion)batteries have attracted wide attention for energy storage.However,magnesium anode is still limited by the irreversible Mg plating/stripping procedure.Herein,a well-designed binary Bi...Rechargeable magnesium-ion(Mg-ion)batteries have attracted wide attention for energy storage.However,magnesium anode is still limited by the irreversible Mg plating/stripping procedure.Herein,a well-designed binary Bi_(2)O_(3)-Bi_(2)S_(3)(BO-BS)heterostructure is fulfilled by virtue of the cooperative interface and energy band engineering targeted fast Mg-ion storage.The built-in electronic field resulting from the asymmetrical electron distribution at the interface of electron-rich S center at Bi_(2)S_(3) side and electron-poor O center at Bi_(2)O_(3) side effectively accelerates the electrochemical reaction kinetics in the Mg-ion battery system.Moreover,the as-designed heterogenous interface also benefits to maintaining the electrode integrity.With these advantages,the BO-BS electrode displays a remarkable capacity of 150.36 mAh g^(−1) at 0.67 A g^(-1) and a superior cycling stability.This investigation would offer novel insights into the rational design of functional heterogenous electrode materials targeted the fast reaction kinetics for energy storage systems.展开更多
目的:探讨微小RNA-296-5p、S期激酶相关蛋白2(S-phase kinase-associated protein 2,Skp2)、核糖体蛋白L6(ribosomal protein L6,RPL6)与前列腺癌病理特征的关系及对手术预后的影响。方法:选取2018年1月至2023年1月120例前列腺患者,均...目的:探讨微小RNA-296-5p、S期激酶相关蛋白2(S-phase kinase-associated protein 2,Skp2)、核糖体蛋白L6(ribosomal protein L6,RPL6)与前列腺癌病理特征的关系及对手术预后的影响。方法:选取2018年1月至2023年1月120例前列腺患者,均行腹腔镜前列腺癌术治疗,对比不同病理特征患者miR-296-5p、Skp2、RPL6 mRNA表达水平,分析各指标与病理特征的关系。根据术后1年是否生化复发分为复发组(n=21)与未复发组(n=97),比较2组临床资料、miR-296-5p、Skp2、RPL6mRNA表达水平,分析miR-296-5p、Skp2、RPL6对手术预后的影响及预测价值。结果:不同病理分期、Gleason评分、术前血清前列腺特异性抗原(prostate specific antigen,PSA)水平、淋巴结转移患者miR-296-5p、Skp2、RPL6 mRNA表达水平比较,差异有统计学意义(F=12.927、22.416、10.088、34.239、20.180、12.208,t=4.649、-5.770、-5.713、4.716、-5.647、-6.884,均P=0.000);miR-296-5p与Gleason评分、病理分期、术前血清前列腺特异性抗原(prostate specific antigen,PSA)水平、淋巴结转移呈负相关(r=-0.578、-0.539、-0.517、-0.556,均P<0.001),Skp2、RPL6 mRNA与Gleason评分、病理分期、术前血清PSA水平、淋巴结转移呈正相关(r=0.531、0.507、0.476、0.493、0.494、0.473、0.420、0.505,均P<0.001);复发组淋巴结转移、病理分期、切缘阳性率、Gleason评分、高于未复发组,术后辅助治疗率低于未复发组(P<0.05);复发组miR-296-5p表达水平低于未复发组,Skp2、RPL6mRNA表达水平高于未复发组(P<0.05);校正前,logistic回归分析,病理分期、Gleason评分、淋巴结转移、切缘阳性、术后辅助治疗、miR-296-5p、Skp2、RPL6 mRNA是前列腺癌患者术后生化复发的影响因素(P<0.05),校正后,miR-296-5p、Skp2、RPL6mRNA仍是前列腺癌患者术后生化复发的影响因素(P<0.05);miR-296-5p、Skp2、RPL6联合预测前列腺术后生化复发的AUC为0.902(95%CI=0.833~0.949),大于各指标单独预测(P<0.05)。结论:前列腺癌患者miR-296-5p、Skp2、RPL6表达水平与病理特征、术后复发密切相关,三者联合预测前列腺术后生化复发具有较高的参考价值。展开更多
基金supported by the National Natural Science Foundation of China(Nos.22173057,52130204,12074241,11929401,12311530675)Science and Technology Commission of Shanghai Municipality(Nos.21JC1402700,22XD1400900,20501130600,21JC1402600)High-Performance Computing Center,Shanghai Technical Service Center of Science and Engineering Computing,Shanghai University。
文摘Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability dielectric.The understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic composites.In this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the interface.Simulated results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high temperatures.When the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 K.Moreover,the average density,diffusion coefficient,and radial distri-bution function are found to be modified substantially.This study will shed light on the atom-istic investigations of the metal-ceramic composites.
基金financially supported by the National Key Re-search and Development Program of China[No.2022YFF1202500,2022YFF1202502]the National Natural Science Foundation of China[62071459]+1 种基金the Subject arrangement Foundation of Shen-zhen[No.JCYJ20180507182057026]the International Science and Technology Cooperation Project of Bingtuan[No.2022BC008]。
文摘The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-posite heterojunctions are successfully prepared by the alkaline dissolution etching method.The internal electric field at the interface of I-type and Z-scheme heterojunction improved the effective charge sepa-ration.The ZC 8 sample exhibits excellent photocatalytic performance and the H2 production efficiency is 15.67 mmol g^(−1) h^(−1) with good stability up to 82.9%in 24-hour cycles.The performance of CH_(4) and CO capacity in the CO_(2) RR process is 3.47μmol g^(−1) h^(−1) and 23.5μmol g^(−1) h^(−1),respectively.The photogener-ated accelerated charge transport is then examined in detail by in situ X-ray photoelectron spectroscopy(ISXPS)and density functional theory(DFT)calculations.This work presents a new idea for the synthe-sis of Cd_(x) Zn_(1-x) S solid-solution-based materials and provides a solid reference for the detailed mechanism regarding the electric field at the heterojunction interface.
基金supported by the National Natural Science Foundation of China(62074037)the Science and Technology Department of Fujian Province(2020I0006)the Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China(2021ZZ124)。
文摘Focusing on the low open circuit voltage(V_(OC))and fill factor(FF)in flexible Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells,indium(In)ions are introduced into the CZTSSe absorbers near Mo foils to modify the back interface and passivate deep level defects in CZTSSe bulk concurrently for improving the performance of flexible device.The results show that In doping effectively inhibits the formation of secondary phase(Cu(S,Se)_(2))and VSndefects.Further studies demonstrate that the barrier height at the back interface is decreased and the deep level defects(Cu_(Sn)defects)in CZTSSe bulk are passivated.Moreover,the carrier concentration is increased and the V_(OC) deficit(V_(OC,def))is decreased significantly due to In doping.Finally,the flexible CZTSSe solar cell with 10.01%power conversion efficiency(PCE)has been obtained.The synergistic strategy of interface modification and bulk defects passivation through In incorporation provides a new thought for the fabrication of efficient flexible kesterite-based solar cells.
基金supported by the National Natural Science Foundation of China(52172239)Project of State Key Laboratory of Environment-Friendly Energy Materials(SWUST,Grant Nos.22fksy23 and 18ZD320304)+3 种基金the Frontier Project of Chengdu Tianfu New Area Institute(SWUST,Grand No.2022ZY017)Chongqing Talents:Exceptional Young Talents Project(Grant No.CQYC201905041)Natural Science Foundation of Chongqing China(Grant No.cstc2021jcyj-jqX0031)Interdiscipline Team Project under auspices of“Light of West”Program in Chinese Academy of Sciences(Grant No.xbzg-zdsys-202106).
文摘Rechargeable magnesium-ion(Mg-ion)batteries have attracted wide attention for energy storage.However,magnesium anode is still limited by the irreversible Mg plating/stripping procedure.Herein,a well-designed binary Bi_(2)O_(3)-Bi_(2)S_(3)(BO-BS)heterostructure is fulfilled by virtue of the cooperative interface and energy band engineering targeted fast Mg-ion storage.The built-in electronic field resulting from the asymmetrical electron distribution at the interface of electron-rich S center at Bi_(2)S_(3) side and electron-poor O center at Bi_(2)O_(3) side effectively accelerates the electrochemical reaction kinetics in the Mg-ion battery system.Moreover,the as-designed heterogenous interface also benefits to maintaining the electrode integrity.With these advantages,the BO-BS electrode displays a remarkable capacity of 150.36 mAh g^(−1) at 0.67 A g^(-1) and a superior cycling stability.This investigation would offer novel insights into the rational design of functional heterogenous electrode materials targeted the fast reaction kinetics for energy storage systems.
文摘目的:探讨微小RNA-296-5p、S期激酶相关蛋白2(S-phase kinase-associated protein 2,Skp2)、核糖体蛋白L6(ribosomal protein L6,RPL6)与前列腺癌病理特征的关系及对手术预后的影响。方法:选取2018年1月至2023年1月120例前列腺患者,均行腹腔镜前列腺癌术治疗,对比不同病理特征患者miR-296-5p、Skp2、RPL6 mRNA表达水平,分析各指标与病理特征的关系。根据术后1年是否生化复发分为复发组(n=21)与未复发组(n=97),比较2组临床资料、miR-296-5p、Skp2、RPL6mRNA表达水平,分析miR-296-5p、Skp2、RPL6对手术预后的影响及预测价值。结果:不同病理分期、Gleason评分、术前血清前列腺特异性抗原(prostate specific antigen,PSA)水平、淋巴结转移患者miR-296-5p、Skp2、RPL6 mRNA表达水平比较,差异有统计学意义(F=12.927、22.416、10.088、34.239、20.180、12.208,t=4.649、-5.770、-5.713、4.716、-5.647、-6.884,均P=0.000);miR-296-5p与Gleason评分、病理分期、术前血清前列腺特异性抗原(prostate specific antigen,PSA)水平、淋巴结转移呈负相关(r=-0.578、-0.539、-0.517、-0.556,均P<0.001),Skp2、RPL6 mRNA与Gleason评分、病理分期、术前血清PSA水平、淋巴结转移呈正相关(r=0.531、0.507、0.476、0.493、0.494、0.473、0.420、0.505,均P<0.001);复发组淋巴结转移、病理分期、切缘阳性率、Gleason评分、高于未复发组,术后辅助治疗率低于未复发组(P<0.05);复发组miR-296-5p表达水平低于未复发组,Skp2、RPL6mRNA表达水平高于未复发组(P<0.05);校正前,logistic回归分析,病理分期、Gleason评分、淋巴结转移、切缘阳性、术后辅助治疗、miR-296-5p、Skp2、RPL6 mRNA是前列腺癌患者术后生化复发的影响因素(P<0.05),校正后,miR-296-5p、Skp2、RPL6mRNA仍是前列腺癌患者术后生化复发的影响因素(P<0.05);miR-296-5p、Skp2、RPL6联合预测前列腺术后生化复发的AUC为0.902(95%CI=0.833~0.949),大于各指标单独预测(P<0.05)。结论:前列腺癌患者miR-296-5p、Skp2、RPL6表达水平与病理特征、术后复发密切相关,三者联合预测前列腺术后生化复发具有较高的参考价值。
