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Low leakage current β-Ga_(2)O_(3) MOS capacitors with ALD deposited Al_(2)O_(3) gate dielectric using ozone as precursor
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作者 Zheng-Yi Liao Pai-Wen Fang +2 位作者 Xing Lu Gang Wang Yan-Li Pei 《Chinese Physics B》 2025年第6期518-523,共6页
Metal–insulator–semiconductor(MOS) capacitor is a key structure for high performance MOS field transistors(MOSFETs), requiring low leakage current, high breakdown voltage, and low interface states. In this paper, β... Metal–insulator–semiconductor(MOS) capacitor is a key structure for high performance MOS field transistors(MOSFETs), requiring low leakage current, high breakdown voltage, and low interface states. In this paper, β-Ga_(2)O_(3) MOS capacitors were fabricated with ALD deposited Al_(2)O_(3) using H_(2)O or ozone(O_(3)) as precursors. Compared with the Al_(2)O_(3) gate dielectric with H_(2)O as ALD precursor, the leakage current for the O_(3) precursor case is decreased by two orders of magnitude, while it keeps the same level at the fixed charges, interface state density, and border traps. The SIMS tests show that Al_(2)O_(3) with O_(3) as precursor contains more carbon impurities. The current transport mechanism analysis suggests that the C–H complex in Al_(2)O_(3) with O_(3) precursor serves as deep energy trap to reduce the leakage current. These results indicate that the Al_(2)O_(3)/β-Ga_(2)O_(3)MOS capacitor using the O_(3) precursor has a low leakage current and holds potential for application in β-Ga_(2)O_(3) MOSFETs. 展开更多
关键词 mos capacitor β-Ga_(2)O_(3) ozone precursor alD al_(2)O_(3)
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初始晶粒尺寸对Al-3%Mg_(2)Si合金热变形行为及组织演变的影响
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作者 李冲 胡敏 +1 位作者 毛麒飞 孙宜琳 《材料热处理学报》 北大核心 2025年第2期72-80,共9页
通过热压缩试验研究了初始晶粒尺寸对Al-3%Mg_(2)Si合金热变形行为及显微组织演变的影响。结果表明:Al-3%Mg_(2)Si合金的流变应力曲线受初始晶粒尺寸的影响,且晶粒尺寸对流变应力的影响与变形温度高度相关;随着初始晶粒尺寸的减小,晶界... 通过热压缩试验研究了初始晶粒尺寸对Al-3%Mg_(2)Si合金热变形行为及显微组织演变的影响。结果表明:Al-3%Mg_(2)Si合金的流变应力曲线受初始晶粒尺寸的影响,且晶粒尺寸对流变应力的影响与变形温度高度相关;随着初始晶粒尺寸的减小,晶界的阻滞效应增强,使得热变形激活能增加;此外,初始晶粒尺寸对合金的动态再结晶过程具有显著的影响;在500℃/0.01 s^(-1)变形条件下,随着晶粒细化,高密度的晶界为动态再结晶提供了更多潜在的形核位置,使得Al-3%Mg_(2)Si合金的再结晶程度由6.61%提升至40.77%。 展开更多
关键词 al-3%Mg_(2)si合金 热变形 初始晶粒尺寸 动态再结晶
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CO_(2)加氢制甲醇中Cu/ZnO/Al_(2)O_(3)催化剂H_(2)S中毒机理研究 被引量:1
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作者 曾煜 田雨昆 +6 位作者 陈子扬 陈铭 钟智勇 童婳 向茂 叶代启 陈礼敏 《环境科学学报》 北大核心 2025年第2期439-452,共14页
本研究探讨了钢铁行业中典型杂质H_(2)S对商业甲醇合成Cu/ZnO/Al_(2)O_(3)催化剂在CO_(2)加氢制甲醇反应中催化性能的影响机制.表征结果表明,甲醇时空收率随毒化时间的延长出现先上升后逐渐下降的趋势;H_(2)S毒化预处理达1 h时,甲醇时... 本研究探讨了钢铁行业中典型杂质H_(2)S对商业甲醇合成Cu/ZnO/Al_(2)O_(3)催化剂在CO_(2)加氢制甲醇反应中催化性能的影响机制.表征结果表明,甲醇时空收率随毒化时间的延长出现先上升后逐渐下降的趋势;H_(2)S毒化预处理达1 h时,甲醇时空收率甚至高于新鲜催化剂,这主要是少量Cu^(0)NPs发生硫化通过促进甲酸盐中间体的生成从而促进甲醇的生成,同时反应过程中催化剂具有中毒可逆性;随着进一步毒化,生成的Cu_(2)S、CuS、ZnS等毒化产物逐渐破坏Cu^(0)NPs和ZnO的晶相结构,催化剂的硫化会导致反应过程中Cu颗粒的快速长大,且会影响ZnOx-Cu^(0)NPs-ZnO界面结构及其对碳物种的吸附,导致催化剂活性逐步下降;长时间毒化预处理后,Cu^(0)NPs和ZnO的严重硫化会导致催化剂基本失活.本研究揭示了H_(2)S对商业催化剂的毒化机理,为开发抗硫高效催化剂提供了理论基础,有助于实现钢铁行业的“双碳”目标. 展开更多
关键词 CO_(2)加氢 甲醇 H_(2)s 失活机制 Cu/ZnO/al_(2)O_(3)催化剂
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CF_(3)SO_(2)F气体与Al(111)表面相容性及其分解特性模拟 被引量:1
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作者 陈兴发 郑宇 +2 位作者 任书波 肖亚鹏 郝东昕 《绝缘材料》 北大核心 2025年第2期66-75,共10页
基于密度泛函理论研究CF_(3)SO_(2)F气体分子在Al(111)表面的吸附作用及其分解机理。通过计算CF_(3)SO_(2)F气体分子在Al(111)表面的吸附能、电荷转移、差分电荷密度、电子定域化函数(ELF)和态密度等数据,对二者之间的相容性进行理论分... 基于密度泛函理论研究CF_(3)SO_(2)F气体分子在Al(111)表面的吸附作用及其分解机理。通过计算CF_(3)SO_(2)F气体分子在Al(111)表面的吸附能、电荷转移、差分电荷密度、电子定域化函数(ELF)和态密度等数据,对二者之间的相容性进行理论分析。进一步建立CF_(3)SO_(2)F气体的分解路径理论计算模型,计算CF_(3)SO_(2)F气体在不同分解路径下的自由能,通过过渡态分析得到CF_(3)SO_(2)F气体主要的分解产物。结果表明:CF_(3)SO_(2)F气体在正常工况下与Al(111)表面具有良好的相容性,相互作用表现为物理吸附,CF_(3)SO_(2)F气体的典型分解气体产物主要包括CF_(4)和SO_(2)。研究结果可为评估新型环保绝缘气体CF_(3)SO_(2)F的气-固相容性及稳定性提供理论参考。 展开更多
关键词 CF_(3)sO_(2)F气体 al(111)表面 密度泛函理论 气固相容性 分解特性
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H2S对Pd/α-Al_(2)O_(3)催化剂催化草酸二甲酯合成反应性能的影响
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作者 赵立红 梁旭 +4 位作者 蒋元力 刘振峰 谢肥东 蔡教民 谢进军 《低碳化学与化工》 北大核心 2025年第7期51-57,共7页
草酸二甲酯(DMO)是合成气制乙二醇的中间产品,工业上通常采用CO和亚硝酸甲酯(MN)在Pd/α-Al_(2)O_(3)催化剂作用下制备DMO,但是在以含CO工业尾气为原料生产DMO的过程中无法避免负荷大范围波动的问题,会出现H_(2)S等毒物含量超标情况,因... 草酸二甲酯(DMO)是合成气制乙二醇的中间产品,工业上通常采用CO和亚硝酸甲酯(MN)在Pd/α-Al_(2)O_(3)催化剂作用下制备DMO,但是在以含CO工业尾气为原料生产DMO的过程中无法避免负荷大范围波动的问题,会出现H_(2)S等毒物含量超标情况,因此探究H_(2)S对催化剂的毒害影响具有重要意义。采用固定床微反装置考察了H_(2)S对利用CO和MN合成DMO的Pd/α-Al_(2)O_(3)催化剂催化性能的影响。在反应温度为120℃、常压、n(CO)/n(MN)为2.0以及空速为3000 h^(-1)条件下,H_(2)S毒化处理催化剂后,其MN转化率由83%降低至64%左右。对中毒处理后的催化剂进行H_(2)还原处理,发现催化剂活性进一步降低,MN转化率稳定在51%左右。采用XRD、FT-IR、HRTEM和XPS等对新鲜催化剂、中毒处理后催化剂及H_(2)还原处理后催化剂进行了表征分析。结果表明,H_(2)S优先与催化剂表面Pd活性物种反应生成PdSO_(4)、PdO_(x)-S和PdO_(x)-SO_(x)等惰性物种,Pd颗粒内部仍保持Pd^(0)状态。H_(2)还原处理会脱除掉部分表面硫,部分氧化态Pd物种重新被还原为Pd^(0),但是还原处理造成Pd^(0)颗粒团聚长大。表面PdSO_(4)、PdO_(x)-S和PdO_(x)-SO_(x)等惰性物种占据并覆盖活性中心及Pd^(0)团聚长大是造成催化剂催化活性下降的主要原因。 展开更多
关键词 草酸二甲酯 Pd/α-al_(2)O_(3)催化剂 H2s预处理 再生处理
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Superplastic behavior of fine-grained Ti-10V-2Fe-3Al alloy fabricated by friction stir processing 被引量:1
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作者 Kai Wang Wenjing Zhang +3 位作者 Takuya Ogura Yoshiaki Morisada Xinqing Zhao Hidetoshi Fujii 《Journal of Materials Science & Technology》 2025年第3期26-36,共11页
Ti-10V-2Fe-3Al alloy with fine-grainedβphases was fabricated by friction stir processing with opti-mized processing parameters.The superplastic behavior of the specimens was investigated by tensile deformation at dif... Ti-10V-2Fe-3Al alloy with fine-grainedβphases was fabricated by friction stir processing with opti-mized processing parameters.The superplastic behavior of the specimens was investigated by tensile deformation at different strain rates and temperatures,and an optimal superplastic elongation of 634%was achieved at 700℃ and 3×10^(-4)/s.An annealing treatment at 650℃ for 60 min showed a mi-crostructure withαprecipitates distributed in theβmatrix in the friction stir specimen.Such pre-heat treatment improves the superplasticity of the specimen,achieving an elongation of up to 807%at 750℃ and 3×10^(-4)/s.The influences of tensile temperatures and strain rates on the microstructural evolution,such as grain size variation,grain morphology,and phase transformations,were discussed.The super-plastic deformation behavior of fine-grained Ti-10V-2Fe-3Al alloy is controlled by grain boundary sliding and accompanied by dynamic phase transformation and recrystallization. 展开更多
关键词 Ti-10V-2Fe-3al alloy Friction stir processing sUPERPLAsTICITY Microstructural evolution Pre-heat treatment
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Strategically designing and fabricating nitrogen and sulfur Co-doped g-C_(3)N_(4) for accelerating photocatalytic H_(2) evolution 被引量:1
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作者 Haitao Wang Lianglang Yu +2 位作者 Jiahe Peng Jing Zou Jizhou Jiang 《Journal of Materials Science & Technology》 2025年第5期111-119,共9页
Doping engineering is an effective strategy for graphitic carbon nitride(g-C_(3)N_(4))to improve its photocat-alytic hydrogen evolution reaction(HER)performance.In this work,a novel nitrogen and sulfur co-doped g-C_(3... Doping engineering is an effective strategy for graphitic carbon nitride(g-C_(3)N_(4))to improve its photocat-alytic hydrogen evolution reaction(HER)performance.In this work,a novel nitrogen and sulfur co-doped g-C_(3)N_(4)(N,S-g-C_(3)N_(4))is elaborately designed on the basis of theoretical predictions of first-principle density functional theory(DFT).The calculated Gibbs free energy of adsorbed hydrogen(ΔGH∗)for N,S-g-C_(3)N_(4) at the N-doping active sites is extremely close to zero(0.01 eV).Inspired by the theoretical predictions,the N,S-g-C_(3)N_(4) is successfully fabricated through ammonia-rich pyrolysis synthesis strategy,in which ammonia is in-situ obtained by pyrolyzing melamine.Subsequent characterizations indicate that the N,S-g-C_(3)N_(4) possesses high specific surface area,outstanding light utilization,good hydrophilicity,and efficient carrier transfer efficiency.Consequently,the N,S-g-C_(3)N_(4) displays an extremely high H2 evolution rate of 8269.9μmol g−1 h−1,achieves an apparent quantum efficiency(AQE)of 3.24%,and also possesses outsatnding durability.Theoretical calculations further demonstrate that N and S dopants can not only introduce doping energy level to reduce the band gap,but also induce charge redistribution to facilitate hydrogen adsorption,thus promoting the photocatalytic HER process.Moreover,femtosecond transient absorption(fs-TA)spectroscopy further corroborates the efficient photogenerated carrier transport of N,S-g-C_(3)N_(4).This research highlights a promising and reliable strategy to achieve superior photocatalytic activity,and exhibits significant guidance for precise designing high-efficiency photocatalysts. 展开更多
关键词 Theoretical predictions g-C_(3)N_(4) N and s co-doping Photocatalytic H_(2)evolution
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S型MoS_(2)/pg-C_(3)N_(4)异质结的构建及其光催化性能研究
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作者 刘发强 夏培蓓 吴咏梅 《化工新型材料》 北大核心 2025年第7期207-214,共8页
通过水热法将MoS_(2)负载到介孔类石墨相氮化碳(pg-C_(3)N_(4))表面,制备了MoS_(2)/pg-C_(3)N_(4)异质结。采用系列表征技术对MoS_(2)/pg-C_(3)N_(4)异质结的微观形貌、物相晶型、特征基团、比表面积和孔隙结构、光化学和电化学特性、... 通过水热法将MoS_(2)负载到介孔类石墨相氮化碳(pg-C_(3)N_(4))表面,制备了MoS_(2)/pg-C_(3)N_(4)异质结。采用系列表征技术对MoS_(2)/pg-C_(3)N_(4)异质结的微观形貌、物相晶型、特征基团、比表面积和孔隙结构、光化学和电化学特性、活性基团以及光生载流子重组等进行了表征。以亚甲基蓝(MB)染料作为污染底物,评价可见光驱动下MoS_(2)/pg-C_(3)N_(4)异质结的光催化活性和稳定性。结果表明:互相堆叠的形貌和丰富的介孔结构实现了对MB的高效吸附;大比表面积、广泛的光谱吸收范围、高效的光生载流子分离效率和低的电荷传质阻力有效提高了光催化活性。可见光照射60min,MoS_(2)/pg-C_(3)N_(4)异质结对MB的降解率达到了99.0%,表现出良好的光催化活性和稳定性,超氧自由基·O_(2)^(-)和羟基自由基·OH等高活性自由基实现了对MB的高效降解。S型电荷转移机理有效保留了空穴和光电子的优异氧化和还原活性,交错的能带结构和内电场实现了高效的电荷分离。 展开更多
关键词 pg-C_(3)N_(4) mos_(2) 异质结 光催化 s型电荷转移机理 亚甲基蓝
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Systematic assessment of emerging contaminants elimination using an S-scheme Mn_(0.5)Cd_(0.5)S/In_(2)S_(3)photocatalyst:Degradation pathways,toxicity evaluation and mechanistic analysis
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作者 Yating Ai Sónia A.C.Carabineiro +4 位作者 Xianqiang Xiong Huayue Zhu Qi Wang Bo Weng Min-Quan Yang 《Chinese Journal of Catalysis》 2025年第8期147-163,共17页
Emerging contaminants in water sources present serious environmental and health risks,creating an urgent need for efficient and reliable treatment strategies.Photocatalytic advanced oxidation processes(AOPs)provide ra... Emerging contaminants in water sources present serious environmental and health risks,creating an urgent need for efficient and reliable treatment strategies.Photocatalytic advanced oxidation processes(AOPs)provide rapid reaction rates and strong oxidation capabilities,however,comprehensive evaluations of wastewater treatment,including degradation pathways,toxicity assessments and mechanistic insights,remain underexplored in the literature.This study presents novel S-scheme Mn_(0.5)Cd_(0.5)S/In_(2)S_(3)(MCS/IS)photocatalysts for efficient degradation of antibiotic pollutants,with a particular focus on tetracycline hydrochloride(TCH).The optimized MCS/IS photocatalyst demonstrates exceptional degradation efficiency and robust resistance to inorganic anions.Additionally,a continuous-flow wastewater treatment system,using an MCS/IS membrane,demonstrates outstanding stability in TCH photodegradation.Utilizing response surface methodology and Fukui function analysis,the effects of various parameters on photocatalytic degradation rates,along with the associated pathways and intermediate products,have been thoroughly investigated.Toxicity assessments confirm the environmental safety of the treated effluents.Mechanistic studies show that the S-scheme heterojunction in the MCS/IS photocatalyst improves electron-hole separation,thereby enhancing photocatalytic performance.It is expected that this study will serve as a model for advancing the removal of emerging contaminants,further enhancing photocatalytic AOPs as sustainable water purification technologies. 展开更多
关键词 s-scheme heterojunction Mn_(0.5)Cd_(0.5)s/In_(2)s_(3) Antibiotic degradation Biotoxicity Reaction mechanism
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Microstructure and mechanical properties of high damping Zn-Al eutectoid alloy reinforced by in-situ formed Al_(2)O_(3)and Al_(3)Zr particles
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作者 Jian-jun ZHANG Dong-mei LU +4 位作者 Fu-xing YIN Hui YU Pu-guang JI Yu-fang LI Qing-zhou WANG 《Transactions of Nonferrous Metals Society of China》 2025年第6期1956-1974,共19页
Zn-Al eutectoid alloy(ZA22)has ultra-high damping property,but its mechanical properties are still relatively low.In order to simultaneously improve the tensile strength and plasticity,a novel Al matrix composite inoc... Zn-Al eutectoid alloy(ZA22)has ultra-high damping property,but its mechanical properties are still relatively low.In order to simultaneously improve the tensile strength and plasticity,a novel Al matrix composite inoculant containing in-situ formed Al_(2)O_(3) and Al3Zr particles was designed and used to reinforce the ZA22 alloy.The microstructure of the ZA22 alloy was significantly refined.Fine Al_(2)O_(3) particles were uniformly distributed in theαphase and the lamellar eutectoid structure,whereas Al3Zr particles were distributed in theαphase and at theα/ηinterface.Property tests showed that the tensile mechanical properties of the reinforced ZA22 alloys were significantly improved.The maximum tensile strength and elongation reached 355 MPa and 7.62%,which were 1.50 and 1.89 times those of the original ZA22 alloy,respectively.The increase in mechanical properties is attributed to the multiple strengthening and toughening factors constructed in the refined microstructure. 展开更多
关键词 ZA22 alloy al_(2)O_(3) al3ZR microstructure refinement tensile strength elongation
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On microstructure and room-/high-temperature properties of an Al_(2)O_(3)/Al-Cu-Mn composite
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作者 Jing-bin Liu Jing-yi Hu +3 位作者 Meng-yu Li Gui-liang Liu Tong Gao Xiang-fa Liu 《China Foundry》 2025年第4期471-479,共9页
An Al_(2)O_(3)/Al-Cu-Mn composite was fabricated using a combination of ball milling and liquid-solid reaction,with a nominal composition of Al-4Cu-0.5Mn-2.8γ-Al_(2)O_(3).The composite contains reinforcement particle... An Al_(2)O_(3)/Al-Cu-Mn composite was fabricated using a combination of ball milling and liquid-solid reaction,with a nominal composition of Al-4Cu-0.5Mn-2.8γ-Al_(2)O_(3).The composite contains reinforcement particles,including nano-sizedθ’and T(Al_(20)Cu_(2)Mn_(3))particles after T6 heat treatment,as well as in-situ synthesized nano-sizedγ-Al_(2)O_(3)particles.Tensile tests of the Al-4Cu-0.5Mn-2.8γ-Al_(2)O_(3)composite and the Al-4Cu-0.5Mn base alloy after T6 treatment were carried out at room temperature and elevated temperatures(200°C,300°C,and 400°C).Compared with the base alloy,the yield strength of the Al-4Cu-0.5Mn-2.8γ-Al_(2)O_(3)composite after T6 treatment increases significantly from 187 MPa to 263 MPa at room temperature.Simultaneously,at elevated temperatures,the yield strength is also enhanced,with a yield strength of 52 MPa at 400°C for this composite.The in-situ fabricatedγ-Al_(2)O_(3)particles,mainly distributed along the grain boundaries,are supposed to play the main strengthening role,especially at high temperatures.This work acts as a reference for designing composites for high-temperature applications. 展开更多
关键词 al matrix composite mechanical strength MICROsTRUCTURE al_(2)O_(3)
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Inverse Kinematics of 2(3RPS)and 2(3SPR)Serial-Parallel Manipulators
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作者 Bo Hu Ziwei Xu +2 位作者 Ren Wang Miaomiao Feng Nijia Ye 《Chinese Journal of Mechanical Engineering》 2025年第2期315-325,共11页
Serial-parallel manipulators are of great interest to academic community in recent years,especially those composed of classical parallel mechanisms.There have been many studies around 2(3RPS)and 2(3SPR)S-PMs,but unfor... Serial-parallel manipulators are of great interest to academic community in recent years,especially those composed of classical parallel mechanisms.There have been many studies around 2(3RPS)and 2(3SPR)S-PMs,but unfortunately their inverse kinematics have not yet been resolved.This paper discovers that the unknown kinematic parameters of middle platform are responsible for the unresolvable of inverse kinematics,meanwhile the unknown kinematic parameters of middle platform also have huge coupling relationships.Therefore,to break through this challenges,the huge coupling relationships are decoupled layer by layer,the kinematic parameters of middle platform are solved by combining Sylvester's elimination method,and the inverse displacements of 2(3RPS)and 2(3SPR)S-PMs are obtained subsequently.This paper not only solves the inverse kinematics of classical 2(3RPS)and 2(3SPR)S-PMs,but also reveals the essence of the inverse kinematics of general(3-DOF)+(3-DOF)6-DOF S-PMs and proposes a corresponding solution. 展开更多
关键词 serial-parallel manipulator Inverse kinematics sylvester’s elimination method 2(3RPs)serial-parallel manipulators 2(3sPR)serial-parallel manipulators
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Al_(2)O_(3)coated polyimide porous films enable thin yet strong polymer-in-salt solid-state electrolytes for dendrite-free lithium metal batteries
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作者 Haotian Zhang Shengfa Feng +6 位作者 Mufan Cao Xiong Xiong Liu Pengcheng Yuan Yaping Wang Min Gao Long Pan Zhengming Sun 《Chinese Chemical Letters》 2025年第8期492-497,共6页
The ineluctable introduction of lithium salt to polymer solid-state electrolytes incurs a compromise between strength,ionic conductivity,and thickness.Here,we propose Al_(2)O_(3)-coated polyimide(AO/PI)porous film as ... The ineluctable introduction of lithium salt to polymer solid-state electrolytes incurs a compromise between strength,ionic conductivity,and thickness.Here,we propose Al_(2)O_(3)-coated polyimide(AO/PI)porous film as a high-strength substrate to support fast-ion-conducting polymer-in-salt(PIS)solid-state electrolytes,aiming to suppress lithium dendrite growth and improve full-cell performance.The Al_(2)O_(3)coating layer not only refines the wettability of polyimide porous film to PIS,but also performs as a high modulus protective layer to suppress the growth of lithium dendrites.The resulting PI/AO@PIS exhibits a small thickness of only 35μm with an outstanding tensile strength of 11.3 MPa and Young's modulus of 537.6 MPa.In addition,the PI/AO@PIS delivers a high ionic conductivity of 0.1 m S/cm at 25°C.As a result,the PI/AO@PIS enables symmetric Li cells to achieve exceptional cyclability for over 1000 h at 0.1 m A/cm2without noticeable lithium dendrite formation.Moreover,the PI/AO@PIS-based LiFePO4||Li full cells demonstrate outstanding rate performance(125.7 m Ah/g at 5 C)and impressive cycling stability(96.1%capacity retention at 1 C after 200 cycles).This work highlights the efficacy of enhancing the mechanical properties of polymer matrices and extending cell performance through the incorporation of a dense inorganic interface layer. 展开更多
关键词 Polymer-in-salt solid-state electrolytes Inorganic interface layer al2O3interfacial layer Li dendrites Cycling performance
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β-Pb_(3)P_(2)S_(8):A new optical crystal with exceptional birefringence effect
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作者 Weiping Guo Ying Zhu +4 位作者 Hong-Hua Cui Lingyun Li Yan Yu Zhong-Zhen Luo Zhigang Zou 《Chinese Chemical Letters》 2025年第2期486-489,共4页
Birefringent crystals play an irreplaceable role in optical systems by adjusting the polarization state of light in optical devices.This work successfully synthesized a new thiophosphate phase ofβ-Pb_(3)P_(2)S_(8)thr... Birefringent crystals play an irreplaceable role in optical systems by adjusting the polarization state of light in optical devices.This work successfully synthesized a new thiophosphate phase ofβ-Pb_(3)P_(2)S_(8)through the high-temperature solid-state spontaneous crystallization method.Different from the cubicα-Pb_(3)P_(2)S_(8),theβ-Pb_(3)P_(2)S_(8)crystallizes in the orthorhombic Pbcn space group.Notably,β-Pb_(3)P_(2)S_(8)shows a large band gap of 2.37 e V in lead-based chalcogenides,wide infrared transparent window(2.5-15μm),and excellent thermal stability.Importantly,the experimental birefringence shows the largest value of0.26@550 nm in chalcogenides,even larger than the commercialized oxide materials.The Barder charge analysis result indicates that the exceptional birefringence effect is mainly from the Pb^(2+)and S^(2-)in the[Pb S_n]polyhedrons.Meanwhile,the parallelly arranged polyhedral layers could improve the structural anisotropic.Therefore,this work supports a new method for designing chalcogenides with exceptional birefringence effect in the infrared region. 展开更多
关键词 Birefringent crystals Optical properties CHalCOGENIDEs β-Pb3P2s8 structural anisotropic
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Pt/Ti_(3)C_(2)electrode material used for H_(2)S sensor with low detection limit and high stability
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作者 Huakang Zong Xinyue Li +4 位作者 Yanlin Zhang Faxun Wang Xingxing Yu Guotao Duan Yuanyuan Luo 《Chinese Chemical Letters》 2025年第5期600-605,共6页
Traditional Pt/C electrode materials are prone to corrosion and detachment during H_(2)S detection,leading to a decrease in fuel cell-type sensor performance.Here,a high-performance H_(2)S sensor based on Pt loaded Ti... Traditional Pt/C electrode materials are prone to corrosion and detachment during H_(2)S detection,leading to a decrease in fuel cell-type sensor performance.Here,a high-performance H_(2)S sensor based on Pt loaded Ti_(3)C_(2)electrode material with-O/-OH terminal groups was designed and prepared.Experimental tests showed that the Pt/Ti_(3)C_(2)sensor has good sensitivity(0.162μA/ppm)and a very low detection limit to H_(2)S(10 ppb).After 90 days of stability testing,the response of the Pt/Ti_(3)C_(2)sensor shows a smaller decrease of 2%compared to that of the Pt/C sensor(22.9%).Meanwhile,the sensor also has high selectivity and repeatability.The density functional theory(DFT)calculation combined with the experiment results revealed that the improved H_(2)S sensing mechanism is attributed to the fact that the strong interaction between Pt and Ti_(3)C_(2)via the Pt-O-Ti bonding can reduce the formation energy of Pt and Ti_(3)C_(2),ultimately prolonging the sensor’s service life.Furthermore,the catalytic property of Pt can decrease the adsorption energy and dissociation barrier of H_(2)S on Pt/Ti_(3)C_(2)surface,greatly enhance the ability to generate protons and effectively transfer charges,realizing good sensitivity and high selectivity of the sensor.The sensor works at room temperature,making it very promising in the field of H_(2)S detection in future. 展开更多
关键词 H_(2)s sensor Pt/Ti_(3)C_(2) Low detection limit Long term stability Density functional theory calculation
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Preparation and performance characterization of Al_(2)O_(3)–C refractories with in-situ synthesis of β-Sialon
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作者 Chao-fan Yin Jun-rui Yang +5 位作者 Jian-jun Chen Li Wang Bin-bin Dong Xiang-cheng Li Hong-yu Bai Fan Bai 《Journal of Iron and Steel Research International》 2025年第10期3370-3380,共11页
β-Sialon has emerged as a promising material for enhancing the service life of Al_(2)O_(3)-C refractories due to its excellent physicochemical properties.The impact of varying concentrations of nanometer Al/Si alloy ... β-Sialon has emerged as a promising material for enhancing the service life of Al_(2)O_(3)-C refractories due to its excellent physicochemical properties.The impact of varying concentrations of nanometer Al/Si alloy on the in-situ synthesis of β-Sialon within Al_(2)O_(3)-C refractory materials,as well as its oxidation behavior,was investigated.The findings indicate that the presence of Al/Si alloy promotes the formation of AlN and SiC whiskers at 1300℃,which subsequently facilitate the production of plate-like β-Sialon at 1500℃.Density functional theory analysis reveals that the(020)crystal plane of β-Sialon exhibits the lowest adsorption energy for Al2O and AlO molecules under the influence of iron atoms,suggesting a solid-liquid-vapor growth mechanism for β-Sialon formation.The introduction of these ceramic phases significantly enhances the mechanical properties of Al_(2)O_(3)-C refractories.Specifically,the addition of 6 wt.%Al/Si alloy yielded specimens with the highest cold modulus of rupture and cold crushing strength at 1500℃,achieving values of 35.2 and 127.5 MPa,respectively--representing increases of 40.1%and 37.4%.Furthermore,during high-temperature oxidation,the formation of plate-like β-Sialon leads to the development of a dense protective layer on the surface.This impedes the diffusion pathways of oxygen and consequently enhances the oxidation resistance of the refractory. 展开更多
关键词 al_(2)O_(3)-C refractory al/si alloy Β-sIalON Density functional theory Oxidation behavior
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Ag/Ag_(2)S plasmonic heterostructure promotes piezoelectric photocatalytic activity of BiFeO_(3)nanofibers for degradation of ciprofloxacin and energy conversion
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作者 Chucheng Zhou Jinshan Wei +3 位作者 Jing Xu Tianle Wu Ji Zhou Ya-yun Li 《Journal of Environmental Sciences》 2025年第8期212-225,共14页
Piezoelectric effect,plasma effect and semiconductor heterostructure are important strategies for enhanced photocatalytic performance.Herein,we developed a novel heterostructure piezoelectric photocatalyst,Ag/Ag_(2)S/... Piezoelectric effect,plasma effect and semiconductor heterostructure are important strategies for enhanced photocatalytic performance.Herein,we developed a novel heterostructure piezoelectric photocatalyst,Ag/Ag_(2)S/BiFeO_(3)(AAS/BFO),for photocatalytic degradation of ciprofloxacin from water.Experimental results verified the enhancement of combining heterostructure piezoelectric polarization effect,which promotes efficient migration and separation of photogenerated carriers due to the localized surface plasmon resonance effect of Ag nanoparticles.Additionally,the introduction of Ag_(2)S constructs a new heterostructure,that enhances the electron transport rate and improves the separation efficiency on electron-hole pairs.Under ultrasonic stimulation and visible light irradiation,the degradation efficiencies of 15%-AAS/BFO towards ciprofloxacin,methyl orange and methylene blue are significantly enhanced compared to pure BFO fibers.The demonstrated AAS/BFO material based on the synergistic piezoelectric effect and plasmon heterostructure shows potential in efficient organic pollutants water treatment and transforming mechanical energy into chemical energy. 展开更多
关键词 Piezoelectric effect Photocatalysis CIPROFLOXACIN Ag/Ag_(2)s/BiFeO_(3) surface plasmon resonance HETEROsTRUCTURE
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Utilization of steelwork off-gases through methanol synthesis:Sulfur-induced dynamic migration of ZnO_(x) over industrial Cu/ZnO/Al_(2)O_(3) catalyst and the poisoning mechanism
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作者 Yukun Tian Yu Zeng +5 位作者 Ziyang Chen Hua Tong Ming Chen Zhiyong Zhong Daiqi Ye Limin Chen 《Journal of Environmental Sciences》 2025年第12期659-673,共15页
The reduction of carbon emissions in the steel industry is a significant challenge,and utilizing CO_(2) from carbon intensive steel industry off-gases for methanol production is a promising strategy for decarbonizatio... The reduction of carbon emissions in the steel industry is a significant challenge,and utilizing CO_(2) from carbon intensive steel industry off-gases for methanol production is a promising strategy for decarbonization.However,steelwork off-gases typically contain various impurities,including H_(2)S,which can deactivate commercial methanol synthesis catalysts,Cu/ZnO/Al_(2)O_(3)(CZA).Reverse water-gas shift(RWGS)reaction is the predominant side reaction in CO_(2) hydrogenation to methanol which can occur at ambient pressure,enabling the decouple of RWGS from methanol production at high pressure.Then,a series of activated CZA catalysts has been in-situ pretreated in 400 ppm H_(2)S/Ar at 250℃and tested for both RWGS reaction at ambient pressure and CO_(2) hydrogenation to methanol at high pressure.An innovative decoupling strategy was employed to isolate the RWGS reaction from the methanol synthesis process,enabling the investigation of the evolution of active site structures and the poisoning mechanism through elemental analysis,X-ray Diffraction,X-ray Photoelectron Spectroscopy,Fourier Transform Infrared Spectroscopy,Temperature Programmed Reduction and CO_(2) Temperature Programmed Desorption.The results indicate that there are different dynamic migration behaviors of ZnO_(x) in the two reaction systems,leading to different poisoning mechanisms.These interesting findings are beneficial to develop sulfur resistant and durable highly efficient catalysts for CO_(2) hydrogenation to methanol,promoting the carbon emission reduction in steel industry. 展开更多
关键词 steelwork off-gases CO_(2)hydrogenation to methanol H_(2)s Cu/Zn O/al_(2)O_(3)catalysts ZnO_(x)migration Deactivation and promotion mechanisms
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Mechanical Properties of Al_(2)O_(3)/FeCo Interface under Magnetic Field:A Molecular Dynamics Study
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作者 Chun Wang Haijun Su +2 位作者 Xi Li Wei Ren Yongle Li 《Chinese Journal of Chemical Physics》 2025年第3期323-333,I0037-I0047,I0109,共23页
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
关键词 Molecular dynamics al_(2)O_(3)/FeCo interface Young’s modulus Magnetism Magnetic field Diffusion coefficient
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Ga_(5)Mg_(2) alloy solid electrolyte interphase in-situ formed in[Mg(DME)_(3)][GaCl_(4)]_(2)/PYR14TFSI/DME electrolyte enables high-performance rechargeable magnesium batteries
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作者 Miao Cheng Yabing Li +7 位作者 Jiaming Shi Qianqian Liu Ruirui Wang Wujun Ma Bo Liu Muzi Chen Wanfei Li Yuegang Zhang 《Journal of Magnesium and Alloys》 2025年第8期3896-3905,共10页
Exploiting high-performance electrolyte holds the key for realization practical application of rechargeable magnesium batteries(RMBs).Herein,a new non-nucleophilic mononuclear electrolyte was developed and its electro... Exploiting high-performance electrolyte holds the key for realization practical application of rechargeable magnesium batteries(RMBs).Herein,a new non-nucleophilic mononuclear electrolyte was developed and its electrochemical active species was identified as[Mg(DME)_(3)][GaCl_(4)]_(2) through single-crystal X-ray diffraction analysis.The as-synthesized Mg(GaCl_(4))_(2)-IL-DME electrolyte could achieve a high ionic conductivity(9.85 m S cm^(-1)),good anodic stability(2.9 V vs.Mg/Mg^(2+)),and highly reversible Mg plating/stripping.The remarkable electrochemical performance should be attributed to the in-situ formation of Mg^(2+)-conducting Ga_(5)Mg_(2)alloy layer at the Mg/electrolyte interface during electrochemical cycling,which not only efficiently protects the Mg anode from passivation,but also allows for rapid Mg-ion transport.Significantly,the Mg(GaCl_(4))_(2)-IL-DME electrolyte showed excellent compatibility with both conversion and intercalation cathodes.The Mg/S batteries with Mg(Ga Cl_(4))_(2)-IL-DME electrolyte and KB/S cathode showed a high specific capacity of 839 m Ah g^(-1)after 50 cycles at 0.1 C with the Coulombic efficiency of~100%.Moreover,the assembled Mg|Mo_6 S_8 batteries delivered a reversible discharge capacity of 85 m Ah g^(-1)after 120 cycles at 0.2 C.This work provides a universal electrolyte for the realization of high-performance and practical RMBs,especially Mg/S batteries. 展开更多
关键词 Non-nucleophilic mono-Mg^(2%PLUs%)electrolyte [Mg(DME)_(3)][GaCl_(4)]_(2) Ga_(5)Mg_(2)alloy interphase Mg/s batteries
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