State Key Laboratory of Urban Water Resource and Environment, School of Science, Harbin Institute of Technology, Shenzhen 518055, China.
Phys Chem Chem Phys. 2023 May 24;25(20):14635-14641. doi: 10.1039/d3cp00864a.
The electronic transport properties of two-dimensional (2D) tetragonal ZnX (X = S, Se) monolayers have been studied using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The gate voltage (a 5 V in particular) generally enhances the transport performance of the monolayers, which is three times that without the gate voltage. It is shown that the transport properties of the Janus ZnSeS monolayer may show a relatively good trend among the ZnX monolayers, and the ZnSeS monolayer has the highest sensitivity to gate-voltage regulation. We also investigate the photocurrent of ZnX monolayers under linearly polarized light irradiation in the visible and near-ultraviolet regions, and the ZnS monolayer processes a maximum value of 15 per photon in the near-ultraviolet region. The excellent electronic transport properties make environmentally friendly tetragonal ZnX monolayers promising for utilization in various electronic and optoelectronic devices.
使用密度泛函理论（DFT）和非平衡格林函数（NEGF）方法研究了二维（2D）四方 ZnX（X=S、Se）单层的电子输运性质。栅极电压（特别是 5 V）通常会增强单层的传输性能，是没有栅极电压时的三倍。结果表明，Janus ZnSeS 单层在 ZnX 单层中的传输性能可能呈现出相对较好的趋势，并且 ZnSeS 单层对栅极电压调节具有最高的灵敏度。我们还研究了可见光和近紫外区域线性偏振光照射下 ZnX 单层的光电流，ZnS 单层在近紫外区域的每个光子处理的最大值为 15。优异的电子输运性质使得环保型四方 ZnX 单层有望应用于各种电子和光电子器件。
