Fig. 1. Schematic diagram of polycrystalline graphene nanoribbons.多晶石墨烯纳米带原子结构模型示意图

Fig. 2. Comparison of (a) the phonon conductance, (b) the phonon transmission for perfect graphene nanoribbons and polycrystalline graphene nanoribbons (where L = 196.48 Å, W = 17.04 Å); (c)−(e) the local density of states in polycrystalline graphene (N = 5) at three typical frequency (160.68, 585.04 and 951.72 Hz). 完美石墨烯纳米带和多晶石墨烯纳米带的(a)声子热导和(b)声子透射系数(其中L = 196.48 Å, W = 17.04Å); (c)−(e)多晶石墨烯纳米带(N = 5)在3个典型频率下(频率分别是160.68, 585.04, 951.72 Hz)的声子局域态密度

Fig. 3. Electronic properties of perfect graphene and polycrystalline graphene: (a) The electronic transmission coefficient; (b) the electronic conductance; (c) the electronic contributed thermal conductance; (d) the Seebeck coefficient.完美石墨烯纳米带和多晶石墨烯纳米带的电子性质　(a)电子透射系数; (b)电子电导; (c)电子热导; (d)塞贝克系数

Fig. 4. Peak values of ZT as a function of temperature for perfect graphene nanoribbons and polycrystalline graphene nanoribbons. 完美和多晶石墨烯纳米带的热电品质因子随温度的变化

Fig. 5. Peak values of ZT of perfect and polycrystalline graphene nanoribbons (N = 5) at room temperature as a function of (a) nanoribbon length or (b) nanoribbon width. The shading part corresponds to the standard deviation. 室温下(300 K), 完美与多晶石墨烯纳米带(N = 5)热电品质因子随系统(a)长度L和(b)宽度W的变化(阴影部分为标准偏差)