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石墨烯增强钛基复合材料界面的第一性原理研究 被引量:4
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作者 何小晶 原梅妮 +2 位作者 李立州 陈贺贺 史明东 《热加工工艺》 CSCD 北大核心 2018年第10期96-100,共5页
为了研究钛基石墨烯复合材料的界面结构与性能,建立了石墨烯/钛单界面模型(GR/Ti)和双界面模型(Ti/GR/Ti),运用第一性原理对界面模型进行能量最小化,计算了稳定界面的结合能、电子态密度、Mulliken布居以及径向分布函数。结果表明,... 为了研究钛基石墨烯复合材料的界面结构与性能,建立了石墨烯/钛单界面模型(GR/Ti)和双界面模型(Ti/GR/Ti),运用第一性原理对界面模型进行能量最小化,计算了稳定界面的结合能、电子态密度、Mulliken布居以及径向分布函数。结果表明,双界面模型的粘附能是单界面模型的2.3倍,相互作用更强;两种模型的石墨烯表面均与最邻近的两层钛原子发生相互作用,最邻近的Ti层与C原子发生强烈杂化,Ti原子d轨道贡献最大,Ti/GR/Ti模型的电荷转移量更多,共价作用更强;确定了界面键合特性为金属键和共价键,Ti/GR/Ti双界面模型的晶体结构和电子性质在界面平滑过渡,各层原子之间结合更为紧密,结构更稳定。 展开更多
关键词 石墨烯/钛复合材料 界面结合能 电子态密度 Mulliken布居
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轧制变形量对GNPs/Ti复合材料组织与性能的影响(英文) 被引量:2
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作者 吴焰 张洪梅 +2 位作者 才鸿年 范群波 穆啸楠 《稀有金属材料与工程》 SCIE EI CAS CSCD 北大核心 2018年第8期2312-2317,共6页
采用放电等离子烧结技术(SPS)和热轧制备了石墨烯/钛基复合材料(GNPs/Ti)。重点研究了轧制变形量对GNPs/Ti复合材料的显微组织及力学性能的影响规律。采用扫描电镜观察不同变形量后的显微组织,结果显示,随着轧制变形量的增加,基体晶粒... 采用放电等离子烧结技术(SPS)和热轧制备了石墨烯/钛基复合材料(GNPs/Ti)。重点研究了轧制变形量对GNPs/Ti复合材料的显微组织及力学性能的影响规律。采用扫描电镜观察不同变形量后的显微组织,结果显示,随着轧制变形量的增加,基体晶粒长径比增大,石墨烯取向性提高。拉伸结果表明,GNPs/Ti复合材料的抗拉强度和断后伸长率随着变形量的增加而增加,在变形60%时,最大抗拉强度达到680 MPa,相比纯钛提高了33%。采用轧制工艺可以使GNPs/Ti复合材料孔洞减少、GNPs分布具有取向性,从而提高材料的力学性能。 展开更多
关键词 石墨烯/复合材料 轧制变形量 显微组织 力学性能
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Microstructure,mechanical properties and corrosion performance of selective laser melting Ti/GNPs composite with a porous structure 被引量:4
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作者 YANG Xin ZHANG Zhao-yang +5 位作者 WANG Ben MA Wen-jun WANG Wan-lin CHEN Wen-ge KANG Ning-ning LIU Shi-feng 《Journal of Central South University》 SCIE EI CAS CSCD 2021年第8期2257-2268,共12页
In this study,nano-graphene reinforced titanium matrix composites(GNPs/Ti)with a honeycomb porous structure were fabricated by selective laser melting(SLM).The effects of graphene on the microstructure,mechanical prop... In this study,nano-graphene reinforced titanium matrix composites(GNPs/Ti)with a honeycomb porous structure were fabricated by selective laser melting(SLM).The effects of graphene on the microstructure,mechanical properties and corrosion performance of the SLM GNPs/Ti were systematically investigated.Results of microstructure characterization show that:1)the density of the SLM GNPs/Ti was improved as compared to that of the SLM Ti;2)abundant TiC particles were formed in the SLM GNPs/Ti.The hardness and compressive strength of the composite increased by 90%(from HV 236 to HV 503)and 14%(from 277 MPa to 316 MPa),respectively,attributed to the uniformly distributed TiC and fine GNPs in the Ti matrix.Electrochemical tests reveal that the corrosion current density of the SLM GNPs/Ti is only 0.328μA/cm^(2),that is about 25%less than that of the SLM Ti.The results indicate that the incorporation of nano-graphene is a potential method to strengthen the Ti by SLM. 展开更多
关键词 porous GNPs/Ti composites selective laser melting MICROSTRUCTURE mechanical properties corrosion properties
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Synthesis of graphene/tourmaline/TiO_2 composites with enhanced activity for photocatalytic degradation of 2-propanol 被引量:6
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作者 Lili Yin Ming Zhao +2 位作者 Huilin Hu Jinhua Ye Defa Wang 《Chinese Journal of Catalysis》 CSCD 北大核心 2017年第8期1307-1314,共8页
We report the construction of a graphene/tourmaline/TiO2(G/T/TiO2)composite system with enhanced charge‐carrier separation,and therefore enhanced photocatalytic properties,based on tailoring the surface‐charged stat... We report the construction of a graphene/tourmaline/TiO2(G/T/TiO2)composite system with enhanced charge‐carrier separation,and therefore enhanced photocatalytic properties,based on tailoring the surface‐charged state of graphene and/or by introducing an external electric field arising from tourmaline.A simple two‐step hydrothermal method was used to synthesize G/T/TiO2composites and poly(diallyldimethylammonium chloride)‐G/T/TiO2composites.In the photocatalytic degradation of2‐propanol(IPA),the catalytic activity of the composite containing negatively charged graphene was higher than of the composite containing positively charged graphene.The highest acetone evolution rate(223?mol/h)was achieved using the ternary composite with the optimum composition,i.e.,G0.5/T5/TiO2(0.5wt%graphene and5wt%tourmaline).The involvement of tourmaline and graphene in the composite is believed to facilitate the separation and transportation of electrons and holes photogenerated in TiO2.This synergetic effect could account for the enhanced photocatalytic activity of the G/T/TiO2composite.A mechanistic study indicated that O2??radicals and holes were the main reactive oxygen species in photocatalytic degradation of IPA. 展开更多
关键词 PHOTOCATALYSIS GRAPHENE TOURMALINE TiO2 Composite 2‐Propanol DEGRADATION
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