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Ag,N共掺锐钛矿TiO_2电子结构和光学性质的第一性原理研究 被引量:3
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作者 宫长伟 王家恒 +2 位作者 付现凯 焦俊荣 柴跃生 《人工晶体学报》 EI CAS CSCD 北大核心 2015年第1期178-183,共6页
基于密度泛函理论(DFT)的第一性原理研究了未掺杂,Ag、N单掺杂及Ag-N共掺杂锐钛矿TiO2的晶体结构,电子结构及光学特性。研究结果表明,掺杂后锐钛矿TiO2晶胞膨胀,晶格发生明显畸变;Ag-N共掺杂TiO2禁带中引入新的杂质能级,导带下移,禁带... 基于密度泛函理论(DFT)的第一性原理研究了未掺杂,Ag、N单掺杂及Ag-N共掺杂锐钛矿TiO2的晶体结构,电子结构及光学特性。研究结果表明,掺杂后锐钛矿TiO2晶胞膨胀,晶格发生明显畸变;Ag-N共掺杂TiO2禁带中引入新的杂质能级,导带下移,禁带宽度减小到1.34 eV,TiO2的光吸收带边发生明显红移,在紫外区和可见光区的吸收系数增大,提高了TiO2的光催化效率。 展开更多
关键词 密度泛函理论 锐钛矿TIO2 ag-n共掺杂 电子结构 光学性质
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AISI 316不锈钢表面银氮复合共渗及其磨损和抗菌性能 被引量:1
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作者 聂婷婷 李小英 +1 位作者 田林海 董汉山 《中国表面工程》 EI CAS CSCD 北大核心 2017年第4期36-44,共9页
为提高奥氏体不锈钢的表面硬度和耐磨性并赋予其良好的抗菌性能,应用改进的活性屏离子渗氮技术(ASPN)对AISI 316不锈钢进行了银氮(Ag-N)共渗处理。用SEM、EDS、XRD、TEM、辉光放电光谱仪(GDOES)表征复合共渗层的成分和组织结构。对不锈... 为提高奥氏体不锈钢的表面硬度和耐磨性并赋予其良好的抗菌性能,应用改进的活性屏离子渗氮技术(ASPN)对AISI 316不锈钢进行了银氮(Ag-N)共渗处理。用SEM、EDS、XRD、TEM、辉光放电光谱仪(GDOES)表征复合共渗层的成分和组织结构。对不锈钢基体(SS)和复合共渗层的显微硬度、空气和腐蚀介质中的磨损性能、抗腐蚀性能以及对金黄色葡萄球菌(S.aureus)的抗菌性能进行了分析。结果表明,Ag-N复合共渗处理后形成的复合共渗层连续致密,主要由Ag掺杂S相纳米结构沉积层和S相扩散层构成。复合共渗层表面硬度较基材提高了约3~4倍,干摩擦条件下的磨损量较基体最高降低了约84.6%。复合共渗处理后试样在人工模拟体液(SBF)中的耐蚀性较基体不锈钢略有降低,比磨损率较基体降低了约35%。抗菌试验表明,复合共渗层与金黄色葡萄球菌(S.aureus)接触12 h后,达到了100%的杀菌率。 展开更多
关键词 不锈钢 活性屏离子氮化 ag-n复合共渗 耐磨性 抗菌性
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Surface plasmon resonance metal-coupled biomass carbon modified TiO_(2) nanorods for photoelectrochemical water splitting
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作者 Yingzhen Zhang Yonggang Lei +7 位作者 Tianxue Zhu Zengxing Li Shen Xu Jianying Huang Xiao Li Weilong Cai Yuekun Lai Xiaojun Bao 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第1期403-411,共9页
Exploring efficient and stable photoanode materials is a necessary link to realize the practical application of solar-driven photoelectrochemical(PEC)water splitting.Hence,we prepared rutile TiO_(2) nanorods,with a wi... Exploring efficient and stable photoanode materials is a necessary link to realize the practical application of solar-driven photoelectrochemical(PEC)water splitting.Hence,we prepared rutile TiO_(2) nanorods,with a width of 50 nm,which was growth in situ on carbon cloth(TiO_(2)@CC)by hydrothermal reaction.And then,Ag nanoparticles(NPs)and biomass N,S-C NPs were chosen for the additional modification of the fabricated TiO_(2) nanorods to produce broccoli-like Ag-N,S-C/TiO_(2)@CC nanocomposites.According to the result of ultraviolet-visible diffuse reflectance spectroscopy(UV-vis)and PEC water splitting performance tests,Ag-N,S-C/TiO_(2)@CC broadens the absorption region of TiO_(2)@CC from the ultraviolet region to the visible regio n.Under AM 1.5 G solar light irradiation,the photocurrent density of Ag-N,S-C/TiO_(2)@CC is 89.8μA·cm^(-2),which is 11.8 times higher than TiO_(2)@CC.Under visible light irradiation,the photocurrent density of Ag-N,S-C/TiO_(2)@CC reaches to 12.6μA·cm^(-2),which is 21.0 times higher than TiO_(2)@CC.Moreover,Ag-N,S-C/TiO_(2)@CC shows a photocurrent responses in full pH range.It can be found that Ag NPs and N,S-C NPs play key roles in broaden the absorption range of TiO_(2) nanorods to the visible light region and,promote the occurrence of PEC water oxidation reaction due to the surface plasmon resonance effect of Ag NPs and the synergistic effect of N,S-C NPs.The mechanism demonstrated that Ag-N,S-C/TiO_(2)@CC can separate the photogenerated electron-hole pairs effectively and transfer the photogenerated electrons to the photocathode(Pt plate)in time.This research provides a new strategy for exploration surface plasma metal coupled biomass carbon materials in the field of PEC water splitting. 展开更多
关键词 PHOTOELECTROCHEMICAL Water oxidation ag-n S-C/TiO_(2) Surface plasmon resonance Biomass carbon
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Oxidation resistant low-alloyed Ti alloys with good ductility
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作者 Meng Li Zhang-Zhi Shi +4 位作者 Jun-Yi Xu Fu-Zhi Dai Xiang-Min Li Zi-Lin Li Lu-Ning Wang 《Rare Metals》 SCIE EI CAS CSCD 2024年第8期3921-3936,共16页
Oxidation resistance enhancement of pure Ti often comes at the cost of reduced ductility,which is frequently the problem through alloying with sole Al,Si,W,Mo and B.To overcome the short coming of single element alloy... Oxidation resistance enhancement of pure Ti often comes at the cost of reduced ductility,which is frequently the problem through alloying with sole Al,Si,W,Mo and B.To overcome the short coming of single element alloying,this paper proposes a multi-element low-alloying strategy to take advantage of synergistic effects and resolve the conflict between oxidation resistance and ductility.It demonstrates that the addition of a small quantity of Ta(0.51wt%)can boost both oxidation resistance and ductility in comparison to pure Ti.Furthermore,the combined addition of a small amount(0.54 wt%)of Ta,Nb and Si not only preserves good ductility of pure Ti,but also reduces mass gains to 14%-67%of pure Ti during 100 h oxidation at 650-850℃in air.This indicates even better oxidation resistance than that obtained through the use of Ta,Nb,or Nb+Ta additions.The Ta+Nb+Si alloying creates an oxide layer that is less porous and more resistant to stratification and spalling.Consequently,a 3-μm N-rich layer can form in the Ti substrate beneath the oxide scale,in which phase transformation generates coherent Ti_(2)N with(0001)_(Ti)as the habit plane,with N atoms prefers to diffuse along■than along[0001]_(Ti).The completely transformed Ti_(2)N region or partially transformed Ti+Ti_(2)N region can effectively impede oxygen invasion.Therefore,the multielement low-alloying strategy is promising for enhancing both oxidation resistance and mechanical properties of metallic materials in the future. 展开更多
关键词 Ti alloys Multi-element Co-alloying Oxidation resistance Mechanical properties
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