| Electronic Transport of the Adsorbed Trigonal Graphene Flake： A First Principles Calculation |
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| 作者姓名： | 谭勋琼 |
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| 基金项目： | Supported by the Construct Program of the Key Discipline in Hunan Province, and the Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province. |
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| 摘 要： | In recent years, electronic transport through molecular devices has attracted much attention due to the progress in experimental techniques for ma- nipulating individual molecules and the availabil- ity of the first-principles method to describe the elec- trical properties of devices. Graphene, a two- dimensional （2D） network of sp2 hybridized carbon atoms, has stimulated great research interest due to its unique electronic transport properties and its pro- found potential for future device applications. Chemical doping with foreign atoms is generally cho- sen to modify the electronic transport properties of carbon materials. The possibility of functionalizing graphene with radicals such as O, F, and H atoms has been experimentally demonstrated. One- dimensional GNRs and zero-dimensional graphene quantum dots （GQDs）, including triangular, rectangular and hexagonal shapes, which can be ob- tained through the geometry cutting method, pro- vide the possibility to explore low-dimensional trans- port properties for carbon-based nanoelectronics. The trigonal graphene flake （TGF）, a kind of representa- tive zero-dimensional GQD, is prominent in electronic and magnetic properties due to its n-fold degenerated half-filled zero-energy states. This novel property was revealed by both experimental and theoretical studies.
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| 关 键 词： | 电子输运性质 片状石墨 第一原理计算 三角形 电子传输特性 吸附 第一原理方法 实验技术 |
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