Photocatalyst for H2 productions: in operando atomic studies

二氧化钛在绿色能源和清洁环境的先进技术中起着至关重要的作用。作为光催化剂，二氧化钛被用于多种应用，包括去除气体污染物，即NOx和CO2，废水修复，以及最近作为抗病毒和抗菌剂。二氧化钛满足大规模使用的所有主要标准；它廉价、无毒、环境友好，而且结构稳定和丰富。除了这些优点外，二氧化钛作为光催化剂制氢的主要挑战是由于有限的光吸收和快速的e-/h+复合而导致效率低下。该项目旨在解决使用二氧化钛生产氢气的这些挑战(1)纳米颗粒尺寸和结晶度的控制，(2)通过添加辅助催化剂来改变表面和形态。该项目的转变潜力包括二氧化钛纳米颗粒和薄膜的合成/生长、电子和光学性质的模拟，以及最先进的操作和原位原子水平表征，这将通过利用约克-JEOL纳米中心的环境像差校正的透射电子显微镜能力来执行，这是一项新奇的工作。后者支持引入气体和/或光，从而允许纳米级成像和光谱分析。这一极具创新性的方法将是第一次采用，目的是(1)通过改善光吸收来提高二氧化钛-助催化剂系统的光催化活性，(2)了解导致催化剂/助催化剂系统改进的机理/结构。未来的学生将接受培训，并参与合成、原子水平表征以及建模。这将允许学生参与项目的所有方面，从设计实验到由量子力学计算支持的复杂数据分析。这种方法将在氢气生产领域产生一名全面的研究人员，这是实现净零目标的重要场所。

Titanium dioxide (TiO2) plays a critical role in advanced technologies for green energy and a clean environment. As a photocatalyst TiO2 is used in several applications, including gas pollutant removal ie NOx and CO2, wastewater remediation, and recently as an antiviral and antibacterial agent. TiO2 satisfies all the main criteria for use at large-scale; it is cheap, non-toxic and environmentally friendly, as well as structurally stable and abundant. Besides these advantages, the main challenge of TiO2 as a photocatalyst for H2 production is the low efficiency due to limited light absorption and rapid e-/h+ recombination. This project aims to address these challenges of using TiO2 for H2 production (1) control of nanoparticle size and crystallinity, (2) surface and morphology modifications by addition of cocatalysts.The transformative potential of this project consists of the combination of synthesis /growth of TiO2 nanoparticles and films, modelling of electronic and optical properties, and state-of-the-art in- operando and in-situ atomic level characterisation that would be performed by utilising the environmental aberration-corrected TEM capability at the York-JEOL Nanocentre, which is a novelty. The latter supports the introduction of gas and/or light allowing nanoscale imaging and spectroscopy. This highly innovative approach, and will be undertaken for the first time, with the objectives of (1) enhanced photocatalytic activity of TiO2-cocatalyst systems by improving light absorption and (2) understanding the mechanisms/structures that lead to improved catalyst/cocatalyst systems.The prospective student will be trained and take an integral part in synthesis, atomic-level characterisation as well as modelling. This will allow the student to be involved in all aspects of the project, from designing experiments to sophisticated data analysis supported by quantum mechanical calculations. This approach will produce a well-rounded researcher in the field of H2 production, an important venue for meeting Net Zero targets.