铁电极化和BiNi双金属活化协同增强ZnTe光电还原CO2制甲酸研究

光电化学CO2还原是当前能源研究的热点，但光电催化效率和选择性较低。本项目以载流子分离、界面CO2催化转化路径的精准调控为思路，拟开展BaTiO3/ZnTe/Bi-Ni复合电极光电催化还原CO2制甲酸的研究，利用ZnTe捕获可见光，通过铁电材料BaTiO3的表面极化电场调控ZnTe光生载流子定向分离，并引入Ni纳米颗粒修饰的金属Bi催化剂活化水和CO2分子，促进水裂解活性氢与CO2活化中间体的耦合，加速*OCHO关键中间体的形成，实现甲酸的定向转化。研究将以光阴极材料结构精准设计-界面CO2催化转化机制为主线，深入探索光电极的催化性能与各组元的组成、微结构之间的作用规律；综合原位时间分辨光谱技术和理论计算，探索催化过程中电子/能量的转移/传输规律和机制，明确激发态载流子动力学和反应中间体的动态演化过程。该研究对光生载流子的定向调控，CO2的控制转化，以及新型光阴极的开发具有重要的科学意义。

Photoelectrocatalytic CO2 reduction is the hot topics in energy research, but the photoelectrocatalytic efficiency and selectivity are still low. This project intends to design BaTiO3/ZnTe/Bi-Ni composite photocathode based on the idea of charge separation and selective CO2 conversion. The ZnTe is used to capture the visible light, and the surface polarization electric field on the ferroelectric materials (BaTiO3) is used to induce the directional separation of photogenerated carriers. In addition, Ni nanoparticle modified metal Bi catalyst was introduced to activate water and CO2 molecules, promoting the coupling of active hydrogen and intermediates originating from CO2 activation, accelerating the formation of *OCHO intermediates, and realizing the directional conversion of formic acid. The study will focus on the precise structure design of photoelectrode materials and the catalytic conversion mechanism of CO2 at the interface, and explore the interaction between the catalytic performance of photoelectrode and the composition and microstructure of each component. Combining the time-resolved spectroscopy, in-situ infrared spectroscopy and theoretical calculations, the mechanism of electron transfer and energy transmission is explored in the catalytic process, and the dynamics of excited carriers and the dynamic evolution process of reaction intermediates are clarified. This project will provide the scientific basis for the directional regulation of photogenerated charges, the selective conversion of carbon dioxide, and the design and development of photocathodes for CO2 reduction.