中文摘要：

材料的催化活动高度依赖于他们的作文和表面结构，特别低坐标的表面原子的密度。在这个工作，我们准备了二维的六角形的 FeS 与高精力(001 ) 经由一个答案阶段化学药品方法的方面(FeS-HE-001 ) 。有暴露的高精力的飞机的 Nanosheets (NS ) 通常拥有更好的反应活动， FeS-HE-001 因此被用作一个柜台为敏化染料的太阳能电池(DSSC ) 的电极(CE ) 材料。FeS-HE-001 完成了 8.88% 的平均力量变换效率(PCE )( 与冠军房间的 PCE 是 9.10%) ，它比在平行测量的基于磅的 DSSC (7.73%) 的高几乎 1.15 倍。周期的 voltammetry 和 Tafel 极化大小向 I ₃^-/I ^- 氧化还原作用反应揭示了 FeS-HE-001 的优秀 electrocatalytic 活动。这能被归因于光电子转移的提升，它被电气化学的阻抗光谱学测量并且扫描凯尔文探查，并且强壮我 ₃^- 吸附和减小活动，它用第一原则的计算被调查。存在高精力(001 ) 在 NS 的方面是为改进催化减小的一个重要因素我 ₃^- 。我们相信我们的方法是为为收获的精力的先进 CE 材料的设计和合成的一个有希望的方法。

英文摘要：

The catalytic activity of materials is highly dependent on their composition and surface structure, especially the density of low-coordinated surface atoms. In this work, we have prepared two-dimensional hexagonal FeS with high-energy （001） facets （FeS-HE-001） via a solution-phase chemical method. Nanosheets （NSs） with exposed high-energy planes usually possess better reaction activity, so FeS-HE-001 was used as a counter electrode （CE） material for dye-sensitized solar ceils （DSSCs）. FeS-HE-001 achieved an average power conversion efficiency （PCE） of 8.88% （with the PCE of champion cells being 9.10%）, which was almost 1.15 times higher than that of the Pt-based DSSCs （7.73%） measured in parallel. Cyclic voltammetry and Tafel polarization measurements revealed the excellent electrocatalytic activities of FeS-HE-001 towards the I-3/I- redox reaction. This can be attributed to the promotion of photoelectron transfer, which was measured by electrochemical impedance spectroscopy and scanning Kelvin probe, and the strong I-3 adsorption and reduction activities, which were investigated using first-principles calculations. The presence of high-energy （001） facets in the NSs was an important factor for improving the catalytic reduction of I-3. We believe that our method is a promising way for the design and synthesis of advanced CE materials for energy harvesting.