Electron transport properties of 2D IV-V semiconductors and their improvement by graphene contact

First-principles study of single-molecule-structure determination of dithienoborepin isomers

“…Aviram 和 Ratner 在 1974 年首次研究分子整流器件,其目的之一是实现分子尺 度的电子器件,从而推动电子器件进一步的小型化 [1] .经过半个世纪的研究和发展, 分子器件的实验和理论研究都取得了重要发现.在研究分子结的电子输运行为时, 科学家们发现了负微分电阻 [2][3][4][5][6] , 整流 [7,8] , 开关 [9,10] , 场效应管 [11,12] 等特性.与以 往的微电子器件不同的是,电子在单分子结不同能级之间传输时,由于相互干涉, 其电导会被增强或抑制,这就是单分子结电输运过程中的量子干涉效应 [13,14] .因此, 量子干涉对分子结的电子输运性质有明显的影响.以往的研究表明,锚接基团与有 机分子的连接位 [15][16][17] , 掺杂原子的取代位置 [18,19] 以及分子结构 [20] 都是影响量 子干涉效应的因素. 此外, 量子干涉效应还可以通过机械力 [21,22] 、化学环境 [23,24] 和电化学 [25][26][27] 等外界刺激 [28][29][30] 来调节.因此,利用量子干涉效应调制有机单分子 的电荷输运成为分子电子学研究的热点.在分子的不同结构位置引入基团进行钝 化,使电子在分子轨道传输过程中发生干涉,从而改变电子在结中的透射率 [31] .通 过改变分子构型来控制分子结的电导率,还可以在分子水平上制造诸如分子整流 器 [32][33][34] , 分子开关 [35,36] , 分子晶体管 [37,38] 和单分子逻辑门 [39] 等电子器件.…”

First principles study of BAs/MoSi2N4 van der Waals heterostructure: tunable electronic and optical properties via vertical strain

“…For instance, the height of the Schottky barrier of the 2D C 3 N monolayer can be effectively tuned by constructing vdW heterostructures with graphene, 14 and the electron transport through the 2D semiconductor channel could also be improved by using a 2D material electrode to achieve carrier injection. 15–17 The conversion efficiency of solar energy to hydrogen in the blue phosphorus/MoSi 2 N 4 heterostructure can reach 21.1%, which is three times or more than that of the original MoSi 2 N 4 and blue phosphorus monolayers, respectively. 18 For the C 3 N 4 /MoSi 2 N 4 vdW heterostructure, the electronic structure and band alignment can be tuned by applying an external electric field and tensile strain, which is of vital importance for optoelectronic device applications.…”

Influences of point defects on electron transport of two-dimensional gep semiconductor device

“…The 2D GeP semiconductor is shown to possess structural stability in ambient condition and excellent electronic properties [14][15][16][17][18], facilitating its practical applications for high-performance electronic device [19][20][21][22][23][24][25]. For instance, our previous investigations have revealed that the pristine GeP monolayer has outstanding thermodynamic stability at 1000 K and extraordinary optical absorption in the range of visible and ultraviolet (UV) light spectra [7].…”