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中文摘要：
利用纳米碳管做模板，制备了超细的无机MoS2和WS2纳米带，宽度仅为1-4nm,层数为1-3层，且边缘呈现锯齿状。通过第一性原理计算预言它们存在磁性，甚至可以有半极金属性，可作为高效自旋过滤器。开辟了MoS2和WS2无机纳米结构可以作为纳米自旋器件的新用途。提出了新的高效的基于化学修饰的纳米碳管的单分子有机晶体管模型，其总体效能（开关比，开态电流）超出目前已知的单分子有机晶体管，该研究成果被《Nature Asia Materials》选为研究亮点加以报道。设计出了多层钒茂，多层钒苯茂，多层钒蒽三类三明治结构的半极金属有机纳米线。预言石墨带可作为具有异常大的巨磁阻的自旋阀。发展了纳米碳管与分子的选择性作用理论，发现还原分子倾向吸附金属纳米碳管，纳米钳子可选择具有特定螺旋和直径的纳米碳管。为分离纳米碳管提供了新思路。
结论摘要：
英文主题词nanoribbon;spin-valve;single-molecule transitor; first-principles calculation
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期刊论文
Structural, Electronic, and Transport Properties of Gd/Eu Atomic Chains Encapsulated in Single-Walle
Functionalized Metallic Single-Walled Carbon Nanotubes as a High-Performance Single-Molecule Organic
Study on the Dispersion of Charged Single-Wall Carbon Nanotube Bundles by First Principles Calculati
Electronic-Type- and Diameter-Dependent Reduction of Single-Walled Carbon Nanotubes Induced by Adsor
Origin of p-Type Doping in Zinc Oxide Nanowires Induced by Phosphorus Doping: A First Principles Stu
Functionalized Metallic Single-Walled Carbon Nanotubes as High Performance Single-Molecule Organic F
Mixed Low-dimensional Nanomaterial: 2D MoS2 Inorganic Nanoribbons Encapsulated in Quasi-1D Carbon Na
Selection of Single-Walled Carbon Nanotubes According to Both Their Diameter and Chirality via Nanot
Selective adsorption of cations on single-walled carbon nanotubes: A density functional theory study
Novel One-Dimensional Organometallic Half Metals: Vanadium-Cyclopentadienyl, Vanadium-Cyclopentadien
Photoluminescence and energy transfer of phosphor series Ba2-zSrzCaMo1-yWyO6 : Eu,Li for white light
Adsorption of Nucleic Acid Bases and Amino Acids on Single-Walled Carbon and Boron Nitride Nanotubes
Electronic type- and diameter-dependent reduction of single-walled carbon nanotubes induced by adsor
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