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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >Electronic energy state of a periodic porous nanoscale graphite
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Electronic energy state of a periodic porous nanoscale graphite

机译:周期性多孔纳米石墨的电子能态

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The electronic energy states of periodic porous nanoscale graphites with acene and phenanthrene edge structures are studied with a two-dimensional, tight-binding crystal orbital method in the framework of the Huckel approximation. The electronic energy scheme of the periodic porous graphite is not only determined by the edge shape of the pore in the short-range order from the viewpoint of the calculated unit cell with an acene- or phenanthrene-edge structure, but also by the long-range order from the viewpoint of the graphite plane with an acene- or phenanthrene-edge structure. The appearance of flat bands in periodic porous nanostructured graphite have been theoretically demonstrated. [References: 18]
机译:在Huckel近似的框架内,采用二维紧密结合晶体轨道方法研究了具有并苯和菲边结构的周期性多孔纳米级石墨的电子能态。从计算的具有并苯或菲边结构的晶胞的角度来看,周期性多孔石墨的电子能谱不仅取决于孔的边缘形状在短范围内,而且还取决于长孔。从具有并苯或菲边缘结构的石墨平面的观点来看,该范围的数量级是有序的。从理论上证明了周期性多孔纳米结构石墨中平坦带的出现。 [参考:18]

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