NSF-DFG Echem: Design of Nanostructured Noble - Metal Chalcogenide Electrocatalysts for Hydrogen Evolution Reaction

尽管仍然需要克服技术障碍，但氢气将是最有可能成为未来的燃料。结构式从MX2到MX(M：Pt或Pd，X：Se或Te)的层状贵金属(Pd，Pt)硫系化合物已被提出作为电化学析氢反应(HER)的活性催化剂，但其催化作用的细节尚不清楚。在这个项目中，研究人员将确定这些贵金属硫化物材料的活性组成相，以及如何利用这些贵金属硫化物材料的纳米结构(层数和台阶边缘密度)来提高HER活性。这些研究不仅将为先进低维材料的催化作用提供基础知识，还将为先进电催化剂的实际设计开辟新的途径，从而为社会寻找生态能源解决方案做出贡献。在这个项目中工作的学生将受益于不同经验和研究背景的独特组合，在一个紧密联系的研究网络中，具有明确的责任。他们将了解如何通过走出各自的“舒适区”并与不同学科的研究人员合作来鼓励采用新的观点来取得进展。研究人员将利用各种过渡金属二卤代化合物(TMD)的结构相似性作为材料平台，研究TMD相混合物(合金)中可能存在的协同效应，以增强TMD的活性。这些材料的平面性将有助于表征混合相材料的结构和电子性质，从而有助于从根本上理解多组分材料中的协同效应。一个具有互补专业知识和能力的团队将进行这些研究。平面模型系统将由范德华外延合成，其原子结构和电子性质将在美国南佛罗里达大学用扫描探针显微镜和光电子能谱进行表征。到目前为止，电化学界对这些定义明确的样品的电化学性质研究很少，这些样品的电化学性质将在TU Braunschweig进行分析。实验确定的微动力学结果将通过在德累斯顿-罗斯多夫亥姆霍兹中心进行从头计算模拟而得到合理的解释。合金和掺杂剂的理论预测也将指导实验，并有助于确定有希望的材料组合。这些研究包括材料的详细表征，以便动力学参数和她的活性可以与它们的物理和化学性质相关联。这项研究是在NSF-DFG电合成和电催化中的领先机构活动(NSF-DFG eChem)机会NSF 20-578下资助的。美国的努力得到了NSF-CBET和NSF-CHE两个部门的共同资助。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

Hydrogen will be the most likely fuel of the future despite the technological barriers that still need to be overcome. Layered noble metal (Pd, Pt) chalcogenides with structural formulas ranging from MX2 to MX (M: Pt or Pd, and X: Se or Te) have been proposed as active catalysts for the electrochemical hydrogen evolution reaction (HER), but the details of the catalytic action are far from being understood. In this project, the investigators will identify the active compositional phases and how nano-structuring (number of layers and step edge density) of these noble metal chalcogenide materials may be used to boost the HER activity. These studies will not only provide fundamental knowledge on the catalytic action of advanced low-dimensional materials, but also define new pathways for the practical design of advanced electrocatalysts, and thus contribute to finding ecological energy solutions for the society. Students working in this project will benefit from a unique combination of different experiences and research backgrounds in a close-knit research network with well-defined responsibilities. They will learn how advances are often made by looking outside of one's respective ‘comfort zone’ and collaborating with researchers in different disciplines that encourages adoption of new viewpoints.The investigators will use the structural similarities of a wide range of transition metal dichalcogenides (TMDs) as a materials platform to investigate possible synergetic effects in TMD-phase mixtures (alloys) to enhance HER activity. The planar nature of these materials will aid the characterization of structural and electronic properties of mixed-phase materials and thus facilitate the fundamental understanding of synergetic effects in multi-component materials. A team with complementary expertise and capabilities will conduct these studies. Planar model systems will be synthesized by van der Waals epitaxy, and their atomic structure and electronic properties will be characterized by scanning probe microscopy and photoemission spectroscopy at University of South Florida, USA. The electrochemical properties of these well-defined samples, so far poorly investigated in the electrochemistry community, will be analyzed at the TU Braunschweig. The experimentally determined micro-kinetics results will be rationalized through ab initio simulations to be done at the Helmholtz Zentrum Dresden-Rossendorf. The theoretical predictions for alloys and dopants will also guide the experiments and help to identify promising materials combinations. The studies encompass detailed characterization of the materials so that the kinetic parameters and HER activities can be correlated with their physical and chemical properties.This research is funded under the NSF-DFG Lead Agency Activity in Electrosynthesis and Electrocatalysis (NSF-DFG EChem) opportunity NSF 20-578. The US efforts are supported by co-funding from both NSF-CBET and NSF-CHE divisions.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.