Metal oxide nanostructures for electrochemical and photoelectrochemical water splitting

用于电化学和光电化学水分解的金属氧化物纳米结构

• 批准号: 220580381
• 负责人: Professor Dr. Thomas Bein
• 金额: --
• 依托单位: Max-Planck-Institut für Eisenforschung GmbH (MPIE)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2012
• 资助国家: 德国
• 起止时间: 2011-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/220580381?language=en
• 关键词: Metal; oxide; nanostructures; electrochemical; photoelectrochemical

The main goal of this research project is the development of novel metal oxide nanomorphologies for efficient electrochemical and light-driven water splitting. We will pursue a two-pronged search approach that is based on (i) computational screening using high throughput DFT calculations, and (ii) intensive collaborations within the SPP 1613 in the area of high throughput synthesis and testing. Optimized nano-morphologies at different levels of complexity will be developed, including thin film model systems, porous nanostructured films created through templating, and hierarchical structures. An important goal is to minimize losses due to limited carrier diffusion and recombination. Homogeneous doping, surface passivation and catalyst layers will serve to further enhance efficiency. Moreover, we will create electrode structures providing an additional driving force for rapid charge separation by means of stacked layers featuring materials compositions with different band edge positions. Complementary metal oxide nanomorphologies for the dark electrolysis of water will be developed with reduced overpotential, high available currents and improved stability. These synthesis efforts will strongly depend on the insights gained from the theoretical work and atomic scale characterization, where the impact of doping on the electronic structure will be investigated. Key insights from theory and electron microscopy will be fed back into the design loop described above, to further improve the efficiency of the photoelectrochemical and electrochemical cells. Degradation mechanisms will also be identified through analytical electron microscopy and strategies will be developed to increase the stability of the nanostructures.

该研究项目的主要目标是开发新型金属氧化物纳米形态，用于高效的电化学和光驱动水分解。我们将采用双管齐下的搜索方法，该方法基于（i）使用高通量DFT计算进行计算筛选，以及（ii）SPP 1613在高通量合成和测试领域的密切合作。将开发不同复杂程度的优化纳米形态，包括薄膜模型系统，通过模板创建的多孔纳米结构膜和分层结构。一个重要的目标是最小化由于有限的载流子扩散和复合造成的损耗。均匀掺杂、表面钝化和催化剂层将用于进一步提高效率。此外，我们将创建电极结构，通过具有不同能带边缘位置的材料组合物的堆叠层提供用于快速电荷分离的额外驱动力。互补金属氧化物纳米形态的暗电解水将开发降低过电位，高可用电流和提高稳定性。这些合成工作将在很大程度上取决于从理论工作和原子尺度表征中获得的见解，其中将研究掺杂对电子结构的影响。来自理论和电子显微镜的关键见解将反馈到上述设计循环中，以进一步提高光电化学和电化学电池的效率。降解机制也将通过分析电子显微镜和战略将被确定，以增加纳米结构的稳定性。