Stability of van der Waals FePX3 materials (X: S, Se) for water-splitting applications
Stability of van der Waals FePX3 materials (X: S, Se) for water-splitting applications
复制标题
用于水分解应用的范德华 FePX3 材料（X：S、Se）的稳定性
DOI：
10.1088/2053-1583/ac9c15
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发表时间：
2022
期刊：
影响因子：
5.5
通讯作者：
Y. Dedkov
中科院分区：
文献类型：
--
作者：
Sandhya Sharma;H. M. Zeeshan;Mohammad Panahi;Yichen Jin;M. Yan;Yukun Jin;Kexin Li;P. Zeller;A. Efimenko;A. Makarova;D. Smirnov;B. Paulus;E. Voloshina;Y. Dedkov
利用近边X射线吸收精细结构（NEXAFS）和X射线光电子能谱（XPS）技术，研究了高质量过渡金属三硫族化合物（TMTs）单晶FePX3 （X: S, Se）与水分子在大范围温度和分压下的相互作用。在较低的温度和相对较小的水分子浓度下，发现H2O和FePX3之间相互作用的物理吸附性质，这得到了DFT结果的支持。当FePX3样品温度和H2O分压升高时，界面处的相互作用由两个相互竞争的过程定义：高H2O分压下分子的吸附和分子的解吸，这是由于相互作用的表面迁移率和物理吸附性质的增加。我们密集的XPS/NEXAFS实验伴随着DFT计算，对H2O与一类新的二维材料TMTs表面的相互作用有了新的认识，指出了它们的稳定性和反应性，这对于在传感和催化等不同领域的进一步应用非常重要。
The interaction of high-quality transition metal trichalcogenides (TMTs) single crystals FePX3 (X: S, Se) with water molecules is studied using near-edge x-ray absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS) in a wide range of temperature and partial pressure of H2O. The physisorption nature of interaction between H2O and FePX3 is found at low temperatures and relatively small concentrations of water molecules, that is supported by the DFT results. When temperature of the FePX3 samples and partial pressure of H2O are increased, the interaction at the interface is defined by two competing processes—adsorption of molecules at high partial pressure of H2O and desorption of molecules due to the increased surface mobility and physisorption nature of interaction. Our intensive XPS/NEXAFS experiments accompanied by DFT calculations bring new understanding on the interaction of H2O with surface of a new class of 2D materials, TMTs, pointing to their stability and reactivity, that is important for further applications in different areas, like sensing and catalysis.