核壳结构的钴铝复氧化物材料设计研究

For the time being, as one kind of new material Co-Al complex oxide with self-assembled core-shell structure was synthesized in our lab firstly. By using materials design theories and methods, the new material will be investigated on the formation mechanism of its special morphology. The research will focus on the quantitative relationship between the electrochemical performance (specific capacitance and decay rate) and main factors including chemical composition (atoms type and ratio in the complex oxides), structure, morphology and synthetic conditions, etc. The quantitative relationship will be used to guide the theoretical design, controllable synthesis and electrochemical performance prediction and optimization of such materials. The new materials are expected as the research and development object of the supercapacitor cathode materials. This research subject involves in the basic problems important for the development of new materials. The research methods and results will be helpful in the controllable preparation and performance optimization of other new materials.

本课题以我们首次合成的核壳结构的钴铝复氧化物材料为研究对象，拟在合成的基础上利用材料设计的理论和方法，研究该新材料核壳结构和形貌的形成机理，以及该材料的电化学性能（比容量及其衰减率）与其化学成份（复氧化物中的原子种类和配比）、组织结构和形貌、合成条件等的定量关系，用以指导该类新材料的理论设计、可控制备和电化学性能的预测和优化。核壳结构的钴铝复氧化物材料有望作为超级电容器（绿色储能装置）电极材料的研究和开发对象，本课题研究内容涉及该新材料研究和开发的重要基础性问题，有关研究方法和成果对于其它新材料的可控制备和性能优化也有一定的借鉴作用。

本项目综合运用多种数据挖掘技术研究了Co3-xAlxO4核壳材料的形成条件和电化学性能，建立了该材料性能与其化学成份、组织结构形貌、制备条件等的关系。利用所建立的统计模型，实现了该类新材料的可控制备和性能优化。其学术价值是基于数据挖掘的材料设计和性能优化有助于加快新材料的创制和研发速度，有关研究方法和应用案例对于其它材料的设计和性能优化研究工作具有重要参考价值。项目执行期间出版有关项目成果的学术论文15篇，其中SCI论文12篇。