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Tailoring interaction between rhodium and CeO_(2) by crystal facets selection to enhance ethanol synthesis via CO_(2) hydrogenation
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作者 Fei Hong Dongsen Mao +3 位作者 Tao Meng Guisheng Wu Haifang Mao Jun Yu 《Journal of Rare Earths》 2026年第3期822-831,I0004,共11页
The hydrogenation of carbon dioxide to produce high-value fuels such as ethanol is currently a research hotspot,but addressing the low selectivity for ethanol remains a challenge.Herein,morphologycontrolled CeO_(2) wi... The hydrogenation of carbon dioxide to produce high-value fuels such as ethanol is currently a research hotspot,but addressing the low selectivity for ethanol remains a challenge.Herein,morphologycontrolled CeO_(2) with different exposed crystal facets,including nanorods(220),nanocubes(200)and nanoplatelets(111),were prepared and impregnated with rhodium(Rh)to obtain Rh/CeO_(2) catalysts,and then the catalytic performance of CO_(2) hydrogenation was investigated.Rh/CeO_(2)-r(nanorods)exhibits high efficacy for CO_(2) hydrogenation to ethanol,giving a high ethanol selectivity of 20.9%with a moderate CO_(2) conversion of 11.2%,and the one-pass ethanol productivity reaches 69.2 mmol/(gRh·h).Characterization results reveal that tuning the exposed crystal facets of the CeO_(2) can tailor the interaction between Rh and CeO_(2),and adjust the chemical state of the Rh species.Due to the abundant oxygen vacancies occupied on the exposed(220)facets of CeO_(2) nanorods,multi-level interactions arise between Rh and CeO_(2)-r,and produce more content of Rh^(+)species.This interface facilitates the transformation of carbonate species into HCOO^(*)and CO^(*)simultaneously,finally boosting the ethanol formation by the C-C coupling reaction. 展开更多
关键词 crystal facet Rh/CeO_(2) CO_(2)hydrogenation Ethanol synthesis Rare earths
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Mechanism insight into twin-dependent photocatalysis in near-infrared light-responsive Cu_(2)O nanocrystals with rich oxygen vacancies
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作者 Xiaochuan Zhang Shaodong Sun +7 位作者 Haotian Wang Jieli Lyu Xiaojing Yu Bian Yang Man Yang Zongfan Duan Qing Yang Jie Cui 《Nano Materials Science》 2026年第1期49-58,共10页
Simultaneous integration of rich oxygen vacancies(OVs)and twin crystals in a photocatalyst can not only significantly enhance the near-infrared(NIR)light response but also greatly improve the photocharge separation an... Simultaneous integration of rich oxygen vacancies(OVs)and twin crystals in a photocatalyst can not only significantly enhance the near-infrared(NIR)light response but also greatly improve the photocharge separation and transfer efficiency owing to the induced high electrical conductivity and strong built-in electric field.However,thus far,there has been a lack of a model catalyst containing both twin crystals and OVs.Herein,we develop a simple wet chemical strategy for synthesizing of unprecedented NIR light-responsive OVs-rich Cu_(2)O black nanoparticles with high-density of twin crystals(denoted as black twinned Cu_(2)O).As expected,the black twinned Cu_(2)O exhibits higher visible-NIR and NIR light-driven photodegradation of tetracycline(TC)solution than the counterparts.Significantly,the mechanism insight into twin-dependent photocatalysis in NIR light-responsive Cu_(2)O black nanocrystals with rich OVs is uncovered in depth by density functional theory(DFT)calculations and a series of experimental evidence.Expectantly,this work would be beneficial for the scientific researchers currently focusing on the NIR light-responsive photocatalysis and twin engineering of photocatalysts. 展开更多
关键词 Cu_(2)O Charge separation NIR light response Oxygen vacancy Twin crystal PHOTOCATALYSIS
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Doping dependence of resistivity,upper critical field and its anisotropy in overdoped Ba_(1-x)K_(x)Fe_(2)As_(2)(x=0.6-1)single crystals
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作者 Ke Shi Wenshan Hong +10 位作者 Yang Li Minjie Zhang Yongqi Han Yu Zhao Jiating Wu Ze Wang Langsheng Ling Chuanying Xi Li Pi Huiqian Luo Zhaosheng Wang 《Chinese Physics B》 2026年第1期272-278,共7页
Temperature-dependent resistivity,upper critical field H_(c2)and its anisotropy in overdoped superconducting Ba_(1-x)K_x Fe_2As_2(x=0.6-1)single crystals have been measured in steady magnetic fields up to 44 T and low... Temperature-dependent resistivity,upper critical field H_(c2)and its anisotropy in overdoped superconducting Ba_(1-x)K_x Fe_2As_2(x=0.6-1)single crystals have been measured in steady magnetic fields up to 44 T and low temperatures down to 0.4 K.Analysis using both the quadratic term and power-law fitting demonstrates that the in-plane resistivityρ_(ab)(T)progressively approaches the Fermi-liquid T~2behavior with increasing K doping and reaches a saturation plateau at x≈0.8.The temperature dependence of both H_(c2)^(ab)and H^(c)_(c2)follows the Werthamer-Helfand-Hohenberg model,incorporating orbital and spin paramagnetic effects.For x≤0.8,the orbital effect dominates for H ab,while the Pauli paramagnetic effect prevails for H c.For x>0.8,the Pauli paramagnetic effect becomes dominant in both crystallographic directions.The anisotropy of H_(c2)(0)exhibits a discontinuity in its dependence on K doping concentration with a significant enhancement at x=0.8 and a maximum at x=0.9.These experimental results indicate that the electron correlation effect is enhanced in the heavily overdoped Ba_(1-x)K_(x)Fe_(2)As_(2)system where the underlying symmetries are broken due to the Fermi surface reconstruction before x=0.9. 展开更多
关键词 BaK122 single crystals high magnetic fields upper critical field H_(c2) MAGNETORESISTANCE
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Molecular dynamics investigation on structure and crystallization characteristics of MgO-CaO-Al_(2)O_(3)-SiO_(2) oxides
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作者 Zheng-Tao Li Wen Yang +4 位作者 Li-Feng Zhang Wu-San Liang Guo-Li Du Yong-Wu Li Yao Zeng 《Journal of Iron and Steel Research International》 2026年第1期469-481,共13页
MgO has been shown to facilitate the precipitation of MgO-rich crystalline phases within the MgO-CaO-Al_(2)O_(3)-SiO_(2)(MCAS)glassy inclusion system,which possesses a high liquidus temperature and a significant Young... MgO has been shown to facilitate the precipitation of MgO-rich crystalline phases within the MgO-CaO-Al_(2)O_(3)-SiO_(2)(MCAS)glassy inclusion system,which possesses a high liquidus temperature and a significant Young’s modulus.The underlying linkage between the structural evolution and the crystallization characteristics of the MCAS system was systematically investigated using molecular dynamics simulation and thermodynamic calculation.The results revealed that Mg^(2+) ions played a dual role,constructing networks through the formation of tricluster oxygens while consuming bridging oxygens(BOs)in a mechanism similar to Ca^(2+) ions.However,despite this dual role,the network connectivity was still decreased with the increase in MgO/(MgO+Al_(2)O_(3))(M/(M+A))and CaO/(CaO+SiO_(2))(C/(C+S))ratios,primarily due to the reduction in BOs.This microscopic structural evolution resulted in a reduction in viscosity and an enhancement of crystallization ability.Furthermore,the remarkable diffusion capability of Mg^(2+) ions,coupled with the increased proportion of 6-coordinated Mg^(2+)ions,unveiled the mechanism underlying the precipitation of MgSiO_(3) and Mg_(2)SiO_(4) crystals,which exhibited high Young’s moduli of 165.23 and 196.67 GPa,respectively.To prevent the precipitation of MgO-rich crystalline phases,it was crucial to maintain the M/(M+A)ratio below 0.42 and the C/(C+S)ratio below 0.16 within the MCAS system. 展开更多
关键词 MgO-CaO-Al_(2)O_(3)-SiO_(2)system Molecular dynamics Thermodynamic calculation Structural evolution crystallization characteristic Young’s modulus
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In-situ Z-scheme hetero-phase homojunction significantly enhances the carrier separation efficiency of TiO_(2) nanotube arrays:Key role of crystal phase engineering
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作者 Bicheng Ji Xicheng Li +6 位作者 Shuai Gao Pengyuan Liu Jiajie Bao Lv Qian Changzheng Wang Qiang Wang Chong-Chen Wang 《Chinese Chemical Letters》 2026年第2期721-727,共7页
Light-energy-driven semiconductor catalysis offers attractive ways to address environmental and energy crises.TiO_(2) is the most promising catalyst for photocatalysis,but the lack of charge-carrier separation efficie... Light-energy-driven semiconductor catalysis offers attractive ways to address environmental and energy crises.TiO_(2) is the most promising catalyst for photocatalysis,but the lack of charge-carrier separation efficiency severely limits its catalytic performance.In this study,we carried out crystal phase engineering to prepare in situ Z-scheme hetero-phase homojunction of anatase-rutile and clarified the structure-performance relationship.The efficiency of sulfamerazine removal by hetero-phase homojunction TiO_(2) nanotube arrays in a single-compartment photocatalytic fuel cell system was improved by 1.93 times compared to conventional anatase TiO_(2) nanotube arrays and the degradation pathways were revealed by the Fukui function combined with HP-LCMS.The successful construction of Z-scheme hetero-phase homojunction was confirmed by Raman,X-ray diffraction(XRD),and electron spin resonance(ESR),which combined with density functional theory(DFT)calculations revealed the key role of crystal phase engineering in the construction of hetero-phase homojunction.This work provides a novel strategy for the scientific design of titanium dioxide photocatalysts. 展开更多
关键词 crystal phase engineering Z-scheme hetero-phase homojunction TiO_(2)nanotube arrays Photocatalytic fuel cells Emerging pollutants
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γ-LiAlO_2 Single Crystal Grown by Czochralski Technique and Modified by Vapor Transport Equilibration (VTE) Technique
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作者 Jun ZOU Lianhan ZHANG +1 位作者 Jun XU Shengming ZHOU 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2006年第4期491-494,共4页
Large-sized (~2 inch, 50.8 mm) γ-LiAlO2 single crystal has been grown by conventional Czochralski (Cz) method, but the crystal has a milky, dendriform center. The samples taken from transparent and milky parts w... Large-sized (~2 inch, 50.8 mm) γ-LiAlO2 single crystal has been grown by conventional Czochralski (Cz) method, but the crystal has a milky, dendriform center. The samples taken from transparent and milky parts were ground and examined by X-ray diffraction. All diffraction peaks could be indexed in γ-LiAlO2. The crystal quality was characterized by X-ray rocking curve. The full-width at half-maximum (FWHM) values are 116.9 and 132.0 arcsec for transparent and milky parts, respectively. The vapor transport equilibrium (VTE) technique was introduced to modify the crystal quality. After 1000℃/48 h, 1100℃/48 h, 1200℃/48 h VTE processes, the FWHM values dropped to 44.2 and 55.2 arcsec for transparent and milky part, respectively. The optical transmission of transparent part was greatly enhanced from 85% to 90%, and transmission of milky part from 75% to 80% in the range of 190~1900 nm at room temperature. When the VTE temperature was raised to 1300℃, the sample cracked and FWHM values of transparent and milky parts were increased to 55.2 and 80.9 arcsec, respectively. By combining Cz technique with VTE technique, large-sized and high quality γ-LiAlO2 crystal can be obtained. 展开更多
关键词 γ-lialo2 crystal Vapor transport equilibration (VTE) technique Czochralski technique
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3-氯-2-氟苯磺酰胺合成与纯化
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作者 周永生 单凯 +1 位作者 方建波 顾浩 《广东化工》 2026年第4期29-31,59,共4页
以稀氨水和3-氯-2-氟苯磺酰氯混合液作为底液,向底液中滴加26.5%的氨水,制备3-氯-2-氟苯磺酰胺(CFBS)粗品,考察反应时间、反应温度和底液pH值对粗品收率的影响。再分别采用冷却结晶法和溶剂析出法对粗品进行纯化,对两种工艺进行了对比... 以稀氨水和3-氯-2-氟苯磺酰氯混合液作为底液,向底液中滴加26.5%的氨水,制备3-氯-2-氟苯磺酰胺(CFBS)粗品,考察反应时间、反应温度和底液pH值对粗品收率的影响。再分别采用冷却结晶法和溶剂析出法对粗品进行纯化,对两种工艺进行了对比。结果表明,在反应温度50℃、反应时间60 min、底液pH=10.9条件下,所得粗品纯度最好(92.8%),收率最高(86.6%);以乙醇为溶剂对粗品进行四步冷却结晶,所得产品纯度最好(99.8%),收率最高(95.0%)。本工艺所制得产品纯度好、收率高,溶剂可回收利用,对环境友好。 展开更多
关键词 3-氯-2-氟苯磺酰胺 底液 合成 冷却结晶 纯化
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过渡金属化合物WSe_(2)晶体结构、弹性和热力学性质的第一性原理研究
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作者 李继弘 《陇东学院学报》 2026年第2期8-15,共8页
基于第一性原理的密度泛函理论及准谐德拜模型方法,研究了高压下过渡金属化合物WSe_(2)晶体结构、弹性性质和热力学性质。计算得到的零温零压下WSe_(2)晶体平衡晶格常数、体弹模量、弹性常数和实验符合得很好;压力下的WSe_(2)晶体的晶... 基于第一性原理的密度泛函理论及准谐德拜模型方法,研究了高压下过渡金属化合物WSe_(2)晶体结构、弹性性质和热力学性质。计算得到的零温零压下WSe_(2)晶体平衡晶格常数、体弹模量、弹性常数和实验符合得很好;压力下的WSe_(2)晶体的晶格常数及弹性常数计算结果表明,WSe_(2)晶体的c轴向比a轴向对压力更敏感,在压强小于20 GPa的情况下,随压强的增加,c轴向晶格常数比a轴向晶格常数减小得快;与弹性相关量的计算结果显示,在0—50 GPa的压力范围内,WSe_(2)晶体表现为脆性,增加压强能够增加WSe_(2)晶体的硬度,WSe_(2)晶体结合力倾向于离子共价键,是非中心力场固体;WSe_(2)晶体的定压、定体热容及热膨胀系数的计算结果表明,一定温度下WSe_(2)晶体的定压、定体热容及热膨胀系数均随压强增大而减小,温度越高,压强对定体热容的影响越小,对定压热容的影响仍比较明显。 展开更多
关键词 WSe_(2)晶体 结构 弹性 热力学性质 第一性原理
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面向热障涂层等应用的La_(2)Zr_(2)O_(7)粉体制备方法及工艺研究进展
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作者 邵菊香 王君 +1 位作者 谢云霞 齐磊磊 《现代技术陶瓷》 2026年第1期17-47,共31页
伴随航空航天、能源等领域对高温结构材料性能要求的不断提升,传统8YSZ热障涂层材料已逐渐暴露出其在高温下的相稳定性不足、热导率升高等局限性,难以满足新一代高推重比发动机等极端服役环境的需求。La_(2)Zr_(2)O_(7)作为一种典型的A_... 伴随航空航天、能源等领域对高温结构材料性能要求的不断提升,传统8YSZ热障涂层材料已逐渐暴露出其在高温下的相稳定性不足、热导率升高等局限性,难以满足新一代高推重比发动机等极端服役环境的需求。La_(2)Zr_(2)O_(7)作为一种典型的A_(2)B_(2)O_(7)型稀土锆酸盐材料,凭借其低热导率、(约1.2 W·m^(-1)·K^(-1)@1000℃)、高熔点(约2300℃)、高温结构稳定性及优异的抗烧结性能,在热障涂层领域展现出广阔的应用前景。高性能粉体是制备高质量涂层的前提,为获得高质量热障涂层,前期对La_(2)Zr_(2)O_(7)粉体的合成工艺进行了广泛研究。本文系统回顾了La_(2)Zr_(2)O_(7)粉体的主要制备方法,包括固相反应法、化学共沉淀法、溶胶‒凝胶法、自蔓延燃烧法和熔盐合成法等,分析了各类方法在合成条件、粉体形貌、相结构调控等方面的特点与适用性。进一步探讨了La_(2)Zr_(2)O_(7)晶体结构对其热物理性能的影响机制,特别强调了制备工艺与结构演化之间的内在联系,以及晶体结构变化对其作为热障涂层材料性能参数(如热导率、热稳定性、抗热震性等)的作用规律。在此基础上,提出了当前研究中存在的问题与挑战,并对未来的研究方向进行了展望。本文旨在为后续La_(2)Zr_(2)O_(7)粉体的深入研究与工程应用提供理论支撑与技术借鉴。 展开更多
关键词 La_(2)Zr_(2)O_(7) 热障涂层 粉体合成 晶体结构 热稳定性 低热导率
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Sm^(2+)-Ce^(3+)共掺CLLB闪烁晶体生长及发光性能研究
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作者 王浩涵 魏钦华 +4 位作者 舒昶 尹航 唐高 张素银 秦来顺 《人工晶体学报》 北大核心 2026年第2期201-210,共10页
二价钐离子(Sm^(2+))掺杂卤化物闪烁体表现出优异的近红外闪烁性能。本文采用垂直布里奇曼法成功生长出不同浓度Sm^(2+)共掺杂的Cs_(2)LiLaBr_(6)∶Ce^(3+),Sm^(2+)闪烁晶体,详细研究了它们的发光性能、能量传递及缺陷情况。通过ICP-MS... 二价钐离子(Sm^(2+))掺杂卤化物闪烁体表现出优异的近红外闪烁性能。本文采用垂直布里奇曼法成功生长出不同浓度Sm^(2+)共掺杂的Cs_(2)LiLaBr_(6)∶Ce^(3+),Sm^(2+)闪烁晶体,详细研究了它们的发光性能、能量传递及缺陷情况。通过ICP-MS方式估算出Sm^(2+)在CLLB基质中的分凝系数约为2.0。紫外-可见荧光光谱发现Ce^(3+)、Sm^(2+)共掺的Cs_(2)LiLaBr_(6)晶体呈现390、420和770 nm三个发射峰,分别归属于Ce^(3+)和Sm^(2+)的5d-4f电子跃迁发射,通过Sm^(2+)的共掺成功获得近红外发光。荧光量子效率测试结果表明,随Sm^(2+)掺杂浓度的增加,晶体的荧光量子效率呈现先增加后下降的趋势,掺杂浓度(原子数分数)为3%Sm^(2+)时,荧光量子效率达到最高98.5%。Sm^(2+)和Ce^(3+)的光谱重叠及衰减时间结果表明Ce^(3+)-Sm^(2+)之间存在能量传递,且在传递过程中存在较多的能量损失。最后,基于不同离子掺杂浓度晶体样品的热释光(TL)曲线和X射线激发发射(XEL)结果研究了Sm^(2+)掺杂对基质缺陷的影响,并讨论了其发光机理。 展开更多
关键词 Sm^(2+)掺杂 Cs_(2)LiLaBr_(6)∶Ce^(3+) Sm^(2+) 垂直布里奇曼法 能量传递 闪烁晶体 发光性能
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Engineering crystal plane of NiCo_(2)O_(4)to regulate oxygen vacancies and acid sites for alkali-free oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid 被引量:1
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作者 Hengli Qian keyuan Zhang +8 位作者 Yongchuo He Qidong Hou Chao Xie Ruite Lai Guanjie Yu Tianliang Xia Xinyu Bai Haijiao Xie Meiting Ju 《Green Energy & Environment》 2025年第4期756-765,共10页
The catalytic oxidation of HMF involves a cascading reaction with multiple intermediate products,making it crucial to enhance the oriented adsorption capacity of specific functional groups for accelerating the entire ... The catalytic oxidation of HMF involves a cascading reaction with multiple intermediate products,making it crucial to enhance the oriented adsorption capacity of specific functional groups for accelerating the entire process.To achieve the efficient selective oxidation of HMF to FDCA,a series of NiCo_(2)O_(4)catalysts with different morphologies,such as flaky,echinoids,pompon and corolla,were prepared and characterized by XRD,SEM,TEM,BET,XPS,and FTIR.Among the four catalysts,flaky NiCo_(2)O_(4)exhibited the most excellent catalytic activity and stability,with a FDCA yield of 60.1%within 12 h at 80℃without alkali participation.The excellent performance of flaky NiCo_(2)O_(4)catalyst is attributed to the oxygen vacancies and acid sites generated by the exposed(400)facets.The oxygen vacancies and acid sites on the catalyst surface can precisely adsorb-CHO and-CH_(2)-OH of HMF,respectively,and this synergistic effect promotes the efficient production of FDCA.This work is of great significance for fundamentally study the effect of micro-topography or crystal-plane reaction properties on surfaces. 展开更多
关键词 5-HYDROXYMETHYLFURFURAL 2 5-furandicarboxylic acid NiCo_(2)O_(4) Catalytic oxidation crystal plane
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ZrO_(2)对Li_(2)O-Al_(2)O_(3)-B_(2)O_(3)微晶玻璃析晶行为及微波介电性能的影响
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作者 倪宇博 陈志斌 +8 位作者 曾广 罗琼 陈巧 刘佳 李文俊 邹澳琪 王静 田培静 韩建军 《硅酸盐通报》 北大核心 2026年第3期835-844,共10页
随着5G技术的推进,微波和毫米波频段器件对高性能介电材料的需求日益增长。本文以Li_(2)O-Al_(2)O_(3)-B_(2)O_(3)(LAB)体系微晶玻璃为研究对象,采用低温共烧法制备了能在超低温下烧结致密且具有优异微波介电性能的微晶玻璃,并研究了外... 随着5G技术的推进,微波和毫米波频段器件对高性能介电材料的需求日益增长。本文以Li_(2)O-Al_(2)O_(3)-B_(2)O_(3)(LAB)体系微晶玻璃为研究对象,采用低温共烧法制备了能在超低温下烧结致密且具有优异微波介电性能的微晶玻璃,并研究了外加ZrO_(2)对LAB微晶玻璃析晶行为及微波介电性能的影响。结果表明:当ZrO_(2)掺量从0.2%(摩尔分数,下同)增至0.8%时,LAB微晶玻璃主晶相为LiBO_(2),析出晶体种类和数量基本没有变化。微晶玻璃Avrami指数n为3.05~3.89,表明该体系的晶体生长机制主要为体析晶,ZrO_(2)的引入降低了微晶玻璃的析晶活化能。随着ZrO_(2)掺量的增加,LAB微晶玻璃显微结构中气孔增多,体积密度也因此而降低。当外加0.2%ZrO_(2)时,Z1微晶玻璃在650℃下烧结7 h具备良好的微波介电性能,微波相对介电常数εr=7.5,品质因素Q×f=16958 GHz,该微晶玻璃是一种良好的超低温共烧陶瓷(ULTCC)候选材料。 展开更多
关键词 Li_(2)O-Al_(2)O_(3)-B_(2)O_(3)微晶玻璃 超低温共烧陶瓷 ZrO_(2) 微波介电性能 析晶活化能 微观结构
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Creep condition-oriented design of molybdenum alloys with La_(2)O_(3)addition assisted by microstructure-based crystal plasticity modeling 被引量:1
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作者 Jie Kuang Wei Wen +3 位作者 Pengming Cheng Gang Liu Jinyu Zhang Jun Sun 《Journal of Materials Science & Technology》 2025年第14期138-152,共15页
Molybdenum(Mo)alloys are essential for applications requiring outstanding mechanical properties at high temperatures across various industrial sectors.Understanding and predicting the creep properties of Mo alloys is ... Molybdenum(Mo)alloys are essential for applications requiring outstanding mechanical properties at high temperatures across various industrial sectors.Understanding and predicting the creep properties of Mo alloys is crucial for service safety and the design of new materials.This study introduces a physicsbased crystallographic creep model dedicated to the characteristic hierarchical microstructure of Mo–La_(2)O_(3)alloys.By sourcing most parameters from existing literature and calibrating others within recommended ranges,the model efficiently predicts creep behavior beyond its initial calibration scope.Through the integration of microstructure descriptors,we systematically explored the impact of different microstructural features on the creep behavior and identified the underlying mechanisms.This analysis yielded two pivotal concepts:the minimum acceptable grain size and the necessary nanoparticle number density.These metrics,readily obtainable from the model,quantify the requisite grain size and nanoparticle content to achieve the target steady-state creep rates for operational demands,thus providing essential insights for the creep condition-oriented design of Mo–La_(2)O_(3)alloys.The model is also expected to be adaptable for developing other Mo alloys reinforced by second phase particles,aimed at achieving desired creep properties under specified conditions,assuming that relevant parameters are accessible through literature or lower-scale simulations. 展开更多
关键词 Molybdenum(Mo)alloys La_(2)O_(3)particle Creep property crystal plasticity
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混晶TiO_(2)光催化剂的制备和降解水体二甲双胍性能
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作者 仲梦如 田斌 +3 位作者 司琦 王兴宝 李晶莹 徐龙 《精细化工》 北大核心 2026年第1期174-182,211,共10页
以冰乙酸和钛酸四丁酯为主要原料,采用溶胶-凝胶法制备了一种混晶TiO_(2)光催化剂,将其用于紫外光下降解水体污染物二甲双胍(MET)。通过SEM、XRD、TEM、FTIR、EPR、PL对TiO_(2)光催化剂进行了表征。考察了n(去离子水)∶n(冰乙酸)∶n(钛... 以冰乙酸和钛酸四丁酯为主要原料,采用溶胶-凝胶法制备了一种混晶TiO_(2)光催化剂,将其用于紫外光下降解水体污染物二甲双胍(MET)。通过SEM、XRD、TEM、FTIR、EPR、PL对TiO_(2)光催化剂进行了表征。考察了n(去离子水)∶n(冰乙酸)∶n(钛酸四丁酯)、煅烧温度、水体溶液初始pH对TiO_(2)光催化剂降解MET的影响。通过降解动力学计算、自由基捕获实验及对降解产物的分析,推测了MET的降解机理。结果表明,n(去离子水)∶n(冰乙酸)∶n(钛酸四丁酯)=6∶1.5∶1制备的溶胶凝胶时间为60 min,经550℃煅烧制备的混合晶型TiO_(2)-550具有最佳的光催化性能,在pH=11,光照60 min后,MET的降解率高达78.03%,显著高于单一锐钛矿和金红石晶型TiO_(2)。TiO_(2)-550含质量分数77%的锐钛矿和质量分数23%的金红石,为聚集的球形颗粒,粒径约为20 nm,其具有氧空位/Ti^(3+)及较窄的禁带宽度(2.81 eV),其光催化降解MET过程符合拟一级动力学模型,降解速率常数为0.016 min^(–1)。MET的降解遵循空穴和超氧基自由基、羟基自由基氧化机理,降解后分别生成1-甲基双胍、4-氨基-2-亚胺-1-甲基-1,2-二氢-1,3,5-三嗪、超氧二甲双胍和超氧一甲双胍。TiO_(2)-550持续循环使用5次后,利用率高达97.41%。 展开更多
关键词 二甲双胍 混晶TiO_(2) 光催化 降解率 机理 水处理技术
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Al_(2)O_(3)/SiO_(2)对Li_(2)O-Al_(2)O_(3)-SiO_(2)-MgO微晶玻璃析晶行为及力学性能的影响
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作者 贾旭赫 赵仁龙 +1 位作者 张继红 谢俊 《硅酸盐通报》 北大核心 2026年第3期845-852,883,共9页
Li_(2)O-Al_(2)O_(3)-SiO_(2)-MgO微晶玻璃因优异的热学性能及力学性能备受关注,其玻璃网络结构、晶相组成及最终力学性能受到Al_(2)O_(3)/SiO_(2)摩尔比的显著影响。本研究采用高温熔融法制备了系列不同Al_(2)O_(3)/SiO_(2)摩尔比组成... Li_(2)O-Al_(2)O_(3)-SiO_(2)-MgO微晶玻璃因优异的热学性能及力学性能备受关注,其玻璃网络结构、晶相组成及最终力学性能受到Al_(2)O_(3)/SiO_(2)摩尔比的显著影响。本研究采用高温熔融法制备了系列不同Al_(2)O_(3)/SiO_(2)摩尔比组成的玻璃样品,并通过两步法热处理工艺成功获得了系列主晶相为Li_(x)Al_(x)Si_(1-x)O_(2)的微晶玻璃。研究结果表明:随着Al_(2)O_(3)/SiO_(2)摩尔比增加,玻璃网络中Q3、Q4基团向Q1、Q2基团转化,这一表观变化实质是由[AlO_(4)]增加引起的扰动所致;热膨胀系数由5.31×10^(-6)℃^(-1)逐渐升高至5.98×10^(-6)℃^(-1),呈递增趋势;晶体微观结构从球状转变为不规则晶体,最终转变为蜂窝状;晶相从Li_(x)Al_(x)Si_(3-x)O_(6)、MgAl_(2)Si_(4)O_(12)和SiO_(2)转为Li_(x)Al_(x)Si_(1-x)O_(2)、MgAl_(2)Si_(4)O_(12)、LiAlSi_(3)O_(8)和SiO_(2),最终转为LiAlSi_(2)O_(6)和Li_(x)Al_(x)Si_(1-x)O_(2)。力学性能测试表明,微晶玻璃的最大维氏硬度为8.89 GPa,随后的性能衰减主要归因于晶相转变及晶体微观形貌向蜂窝状的演化。 展开更多
关键词 铝硅酸盐玻璃 Al_(2)O_(3)/SiO_(2) 玻璃网络结构 力学性能 微观结构 结晶过程
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Optical memory behavior of MoS_(2) nanoflakes doped liquid crystals hybrid
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作者 GONG Xiaohui ZHANG Hao +1 位作者 YANG Dongfang LIU Yang 《液晶与显示》 北大核心 2025年第5期665-673,共9页
The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variet... The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variety of commodities.In this study,we utilized molybdenum disulfide(MoS_(2))nanoflakes as the vip in a homotropic LCs host to modulate the overall memory effect of the hybrid.It was found that the MoS₂nanoflakes within the LCs host formed agglomerates,which in turn resulted in an accelerated response of the hybrids to the external electric field.However,this process also resulted in a slight decrease in the threshold voltage.Additionally,it was observed that MoS₂nanoflakes in a LCs host tend to align homeotropically under an external electric field,thereby accelerating the refreshment of the memory behavior.The incorporation of a mass fraction of 0.1%2μm MoS₂nanoflakes into the LCs host was found to significantly reduce the refreshing memory behavior in the hybrid to 94.0 s under an external voltage of 5 V.These findings illustrate the efficacy of regulating the rate of memory behavior for a variety of potential applications. 展开更多
关键词 optical memory behavior MoS_(2)nanoflake liquid crystal
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TiO_(2)和ZrO_(2)对金尾矿基微晶玻璃的析晶行为与结构影响
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作者 祝旭帆 郝晓栋 +2 位作者 周亚辉 李浩 邓磊波 《中国陶瓷》 北大核心 2026年第1期52-61,共10页
中国工业的快速发展对矿产资源的需求逐年增加,导致大量尾矿排放与堆存,带来了资源浪费与环境污染问题。本文以金尾矿为主要原料,TiO_(2)和ZrO_(2)为晶核剂,利用熔融法制得微晶玻璃材料。采用DSC、XRD、SEM、热台显微镜及红外光谱等手段... 中国工业的快速发展对矿产资源的需求逐年增加,导致大量尾矿排放与堆存,带来了资源浪费与环境污染问题。本文以金尾矿为主要原料,TiO_(2)和ZrO_(2)为晶核剂,利用熔融法制得微晶玻璃材料。采用DSC、XRD、SEM、热台显微镜及红外光谱等手段,研究了TiO_(2)/ZrO_(2)对微晶玻璃析晶行为、结构和性能的影响。结果表明,随着TiO_(2)/ZrO_(2)质量比增加,玻璃的析晶活化能呈现下降趋势,范围在235~334 kJ/mol;析晶指数范围为3.1~5.5,以二维/三维整体晶化为主。制得的微晶玻璃主晶相为堇青石,且随着热处理温度升高,伴随有尖晶石、氧化锆和蓝宝石相等次晶相析出。当TiO_(2)和ZrO_(2)的质量比为3.5/2.0时,基础玻璃经1000℃热处理得到的微晶玻璃密度为2.61 g/cm^(3)、硬度为8.09 GPa,利用金尾矿制得的微晶玻璃在建筑材料领域具有潜在的应用前景。 展开更多
关键词 金尾矿 微晶玻璃 TiO_(2) ZrO_(2) 析晶
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Crystal structure and antibacterial activity of two Gd_(2)complexes based on polydentate Schiff-base ligands
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作者 ZHANG Yingyue KANG Liuqing +2 位作者 YANG Yating GUAN Xiaofen WANG Wenmin 《无机化学学报》 北大核心 2025年第9期1867-1877,共11页
Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene... Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2. 展开更多
关键词 Gd_(2)complex polydentate Schiff base crystal structure DNA INTERACTION antibacterial activity
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新型含能材料TYX-2的晶体结构解析与热分解动力学研究
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作者 王帅 窦金康 +4 位作者 唐长伟 张婧 高敏 谭博军 刘宁 《含能材料》 北大核心 2026年第3期301-309,共9页
新型含能材料2,7-二(硝氨基)双([1,2,4]三唑并)[1,5-b:1',5'-e][1,2,4,5]四嗪-5,10-二鎓-3,8-二内盐(TYX-2)因同时具备高能量与低感度的优势而备受关注。然而,在前期工作中尚未明确TYX-2的中性晶体结构,这在一定程度上制约了对... 新型含能材料2,7-二(硝氨基)双([1,2,4]三唑并)[1,5-b:1',5'-e][1,2,4,5]四嗪-5,10-二鎓-3,8-二内盐(TYX-2)因同时具备高能量与低感度的优势而备受关注。然而,在前期工作中尚未明确TYX-2的中性晶体结构,这在一定程度上制约了对其本征特性的深入研究。本研究采用丙酮/正己烷反溶剂体系制备了高质量的中性TYX-2·2(C_(3)H_(6)O)单晶,利用X-射线单晶衍射仪(SC-XRD)确定了其晶体结构。并采用差示扫描量热(DSC)和热重-质谱-傅里叶变换红外光谱联用技术(TG-MS-FTIR)表征方法分析了其热分解行为。晶体结构分析表明,TYX-2·2(C_(3)H_(6)O)晶体属于单斜晶系,空间群为P21/n,晶胞参数为a=10.6102(6)Å,b=6.7134(4)Å,c=12.3101(7)Å,晶体密度为1.509 g·cm^(-3)。TYX-2分子通过密集的氢键以及显著的π-π堆积作用,构建出稳定的三维超分子框架。热分析的结果表明,TYX-2的热分解峰温为217.5℃(升温速率10.0℃·min^(-1)),其分解过程呈现出典型的自催化行为,热解气体产物主要为CO_(2)、N_(2)O、HCNO、CO及NO_(2)。表观活化能经Kissinger法和联合动力学法计算分别为380.04 kJ∙mol^(-1)与302.40 kJ∙mol^(-1),其固态热分解初期符合二维扩散(D2)模型,后期逐渐转变为化学反应控制。 展开更多
关键词 含能材料 TYX-2 单晶结构 热分解动力学
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暴露不同数量(101)晶面的TiO_(2)对聚乳酸性能的影响
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作者 米宏磊 郑蕊 +1 位作者 张一帆 罗发亮 《精细化工》 北大核心 2026年第3期506-515,共10页
以聚乳酸(PLA)为基体、聚磷酸铵(APP)为酸源和气源、季戊四醇(PER)为碳源、两种暴露不同数量TiO_(2)(101)晶面的亲水TiO_(2)(P-TiO_(2))和亲油TiO_(2)(NP-TiO_(2))为协同效应剂,通过添加膨胀性阻燃剂(IFR,是APP和PER以质量比3∶1的混合... 以聚乳酸(PLA)为基体、聚磷酸铵(APP)为酸源和气源、季戊四醇(PER)为碳源、两种暴露不同数量TiO_(2)(101)晶面的亲水TiO_(2)(P-TiO_(2))和亲油TiO_(2)(NP-TiO_(2))为协同效应剂,通过添加膨胀性阻燃剂(IFR,是APP和PER以质量比3∶1的混合物),制备了阻燃复合材料PLA/IFR/TiO_(2)(PLA/IFR/P-TiO_(2)和PLA/IFR/NP-TiO_(2))。采用XRD、EDS、SEM、FTIR对样品进行了表征。通过极限氧指数(LOI)、垂直燃烧(UL-94)测试、锥形量热测试(CCT)考察了P-TiO_(2)和NP-TiO_(2)对PLA/IFR/TiO_(2)阻燃性能的影响。结果表明,在LOI测试中,PLA/IFR/TiO_(2)均达难燃级别,其中,添加P-TiO_(2)质量分数1.0%的PLA/IFR/1.0%P-TiO_(2)的LOI最高,为40.1%±0.1%。在UL-94测试中,PLA/IFR/TiO_(2)均达V-0级。在CCT测试中,PLA/IFR/P-TiO_(2)的阻燃效果优于PLA/IFR/NP-TiO_(2),其中,添加P-TiO_(2)质量分数0.5%的PLA/IFR/0.5%P-TiO_(2)具有最高残炭率(6.54%),高于添加NP-TiO_(2)质量分数1.0%的PLA/IFR/1.0%NP-TiO_(2)的残炭率(5.29%)。PLA/IFR/0.5%NP-TiO_(2)峰值热释放速率(182.08 kW/m^(2))最低,比PLA/IFR/1.0%P-TiO_(2)(273.26 kW/m^(2))降低了33.4%;适量TiO_(2)可使炭层更平整连续,P-TiO_(2)因更多TiO_(2)(101)晶面暴露,能更好地促进APP和PER的酯化反应,提高PLA/IFR/P-TiO_(2)的残炭率,增强其阻燃性能。 展开更多
关键词 PLA TiO_(2) 晶面 膨胀性阻燃剂 功能材料
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