【摘 要】
：
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention because of their unique properties and great potential in nan
【机 构】
：
Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Bei
论文部分内容阅读
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention because of their unique properties and great potential in nano-technology applications. Great efforts have been devoted to fabrication of novel structured TMD monolayers by modifying their pristine structures at the atomic level. Here we propose an intrigu-ing structured 1T-PtTe2 monolayer as hydrogen evolution reaction (HER) catalyst, namely, Pt4Te7, using first-principles calculations. It is found that Pt4Te7 is a stable monolayer material verified by the calculation of formation energy, phonon dispersion, and ab initio molecular dynamics simulations. Remarkably, the novel structured void-containing monolayer exhibits superior catalytic activity toward HER compared with the pristine one, with a Gibbs free energy very close to zero (less than 0.07 eV). These features indicate that Pt4Te7 monolayer is a high-performance HER catalyst with a high platinum utilization. These findings open new perspectives for the functionalization of 2D TMD materials at an atomic level and its application in HER catalysis.
其他文献
InP-based high electron mobility transistors (HEMTs) will be affected by protons from different directions in space radiation applications.The proton irradiatio
Various novel physical properties have emerged in Dirac electronic systems,especially the topological characters protected by symmetry.Current studies on these
The magnetic behaviors of the Fe–Mn–Al alloy are simulated on the Bethe lattice by using a trimodal random bilinear exchange interaction(J) distribution in th
为创建大白菜—结球甘蓝异源易位系，本研究以大白菜—结球甘蓝3号单体异附加系（AA+C3）为试材，用60Co-γ射线对其植株进行辐射，对辐射前后植株进行自交和游离小孢子培养，并对获得的
Pressure allows the precise tuning of a fundamental parameter, the interatomic distance, which controls the electronic structure and virtually all interatomic i
散文,是一种描写见闻、表达感悟的自由灵活的文学样式.具有“形散而神不散”的艺术特征,贯穿內容主线的总有几句能够总结或揭示文章主旨的作为点睛之笔的重点词句,有的出現在
Based on the first-principles density functional theory electronic structure calculation, we investigate the possible phonon-mediated superconductivity in arsen
吉林省农作物品种审定委员会于1990年4月5日召开了第六次常委会议,审(认)定了适宜我省种植的18种作物,37个品种。现介绍如下: 一、玉米中晚熟单交种吉单133、锦单6,中早熟单
早籼中83—49是中国水稻所用四丰43×竹科2号杂交选育而成的早籼中熟品种。通过3年在我区试种示范,表现为株型紧凑而直立,生长整齐清秀,结实率高,穗多粒重,耐肥抗倒,适应性