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

NSF-DFG Echem：用于析氢反应的纳米结构贵金属硫属化物电催化剂的设计

• 批准号: 2140038
• 负责人: Matthias Batzill
• 金额: $ 39.91万
• 依托单位: University of South Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-10-01 至 2024-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2140038&HistoricalAwards=false
• 关键词: NSF; DFG; Echem; Design; Nanostructured

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.

尽管仍需要克服技术障碍，氢将成为未来最有可能的燃料，其结构式从 MX2 到 MX（M：Pt 或 Pd，X：Se 或）。 Te）已被提议作为电化学析氢反应（HER）的活性催化剂，但催化作用的细节尚不清楚。在这个项目中，研究人员将确定活性成分相以及如何进行。这些贵金属硫族化物材料的纳米结构（层数和阶梯边缘密度）可用于提高 HER 活性。这些研究不仅提供了先进低维材料催化作用的基础知识，而且定义了新的方法。先进电催化剂的实际设计的途径，从而有助于为社会寻找生态能源解决方案。参与该项目的学生将受益于紧密的研究网络中不同经验和研究背景的独特结合，以及明确的职责。他们会的。了解如何通过跳出各自的“舒适区”并与不同学科的研究人员合作鼓励采用新观点来取得进展。研究人员将利用各种过渡金属二硫化物 (TMD) 的结构相似性作为研究TMD相混合物（合金）中可能的协同效应以增强HER活性的材料平台这些材料的平面性质将有助于表征混合相材料的结构和电子特性，从而促进基础研究。具有互补专业知识和能力的团队将通过范德华外延合成平面模型系统，并通过扫描探针显微镜和光电发射来表征其原子结构和电子特性。美国南佛罗里达大学的光谱学研究人员将在布伦瑞克工业大学对这些明确的样品的电化学特性进行分析，这些特性迄今为止在电化学界还没有得到很好的研究。微观动力学结果将通过在德累斯顿-罗森多夫亥姆霍兹中心进行的从头算进行合理化。合金和掺杂剂的理论预测也将指导实验并帮助确定有前途的材料组合。研究包括材料的详细表征。以便动力学参数和 HER 活性可以与其物理和化学性质相关联。这项研究受到 NSF-DFG 电合成和电催化牵头机构活动的资助(NSF-DFG EChem) 机会 NSF 20-578 美国的努力得到了 NSF-CBET 和 NSF-CHE 部门的共同资助。该奖项反映了 NSF 的法定使命，并通过使用基金会的评估被认为值得支持。智力价值和更广泛的影响审查标准。

项目成果

A van der Waals Heterostructure with an Electronically Textured Moiré Pattern: PtSe 2 /PtTe 2

具有电子纹理莫尔图案的范德华异质结构：PtSe 2 /PtTe 2

• DOI: 10.1021/acsnano.2c12879
• 发表时间: 2023-03
• 期刊: ACS Nano
• 影响因子: 17.1
• 作者: Li, Jingfeng;Ghorbani;Lasek, Kinga;Pathirage, Vimukthi;Krasheninnikov, Arkady V.;Batzill, Matthias
• 通讯作者: Batzill, Matthias

Thermal Phase Control of Two-Dimensional Pt-Chalcogenide (Se and Te) Ultrathin Epitaxial Films and Nanocrystals

二维铂硫族化物（Se 和 Te）超薄外延膜和纳米晶体的热相控制

• DOI: 10.1021/acs.chemmater.1c02163
• 发表时间: 2021-10
• 期刊: Chemistry of Materials
• 影响因子: 8.6
• 作者: Li, Jingfeng;Kolekar, Sadhu;Xin, Yan;Coelho, Paula Mariel;Lasek, Kinga;Nugera, Florence A.;Gutiérrez, Humberto R.;Batzill, Matthias
• 通讯作者: Batzill, Matthias

Water dissociation and association on mirror twin boundaries in two-dimensional MoSe 2 : insights from density functional theory calculations

二维 MoSe 2 镜面孪晶边界上的水解离和缔合：来自密度泛函理论计算的见解

• DOI: 10.1039/d1na00429h
• 发表时间: 2021-12-07
• 期刊: Nanoscale Advances
• 影响因子: 4.7
• 作者: Joseph, T.;Ghorbani-Asl, M.;Batzill, M.;Krasheninnikov, Arkady, V
• 通讯作者: Krasheninnikov, Arkady, V

Edge and Point‐Defect Induced Electronic and Magnetic Properties in Monolayer PtSe 2

单层 PtSe 2 中的边缘和点缺陷诱导的电子和磁性

• DOI: 10.1002/adfm.202110428
• 发表时间: 2022-01
• 期刊: Advanced Functional Materials
• 影响因子: 19
• 作者: Li, Jingfeng;Joseph, Thomas;Ghorbani‐Asl, Mahdi;Kolekar, Sadhu;Krasheninnikov, Arkady V.;Batzill, Matthias
• 通讯作者: Batzill, Matthias

Layer-Dependent Band Gaps of Platinum Dichalcogenides

铂二硫族化物的层相关带隙

• DOI: 10.1021/acsnano.1c02971
• 发表时间: 2021-08
• 期刊: ACS Nano
• 影响因子: 17.1
• 作者: Li, Jingfeng;Kolekar, Sadhu;Ghorbani;Lehnert, Tibor;Biskupek, Johannes;Kaiser, Ute;Krasheninnikov, Arkady V.;Batzill, Matthias
• 通讯作者: Batzill, Matthias