Photocatalyst for H2 productions: in operando atomic studies

二氧化钛（TiO2）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。二氧化钛作为光催化剂被广泛应用，包括气体污染物去除（NOx和CO2）、废水修复，最近还被用作抗病毒和抗菌剂。TiO2满足大规模使用的所有主要标准；它具有廉价、无毒、环保、结构稳定、储量丰富等特点。除了这些优点外，TiO2作为光催化剂制氢的主要挑战是由于光吸收有限和e-/h+快速重组而导致效率低。该项目旨在解决使用TiO2生产H2的挑战(1)控制纳米颗粒的大小和结晶度，(2)通过添加助催化剂来修饰表面和形态。该项目的变革潜力包括TiO2纳米颗粒和薄膜的合成/生长，电子和光学特性的建模，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-杰尔纳米中心的环境畸变校正TEM能力来执行，这是一种新颖的技术。后者支持引入气体和/或光，允许纳米级成像和光谱学。这种高度创新的方法将首次进行，其目标是：(1)通过改善光吸收来增强tio2 -助催化剂体系的光催化活性；(2)了解导致改进催化剂/助催化剂体系的机制/结构。未来的学生将接受训练，并在合成、原子水平表征和建模方面发挥不可或缺的作用。这将允许学生参与项目的各个方面，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培养出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.