锑/铋硫族化合物分级结构的可控合成及电化学储氢性能

Hierarchical antimony and bismuth chalcogenides (bismuth sulfide, bismuth selenide, antimony sulfide, antimony selenide) will be synthesized by hydrothermal, solvothermal, and ionothermal methods combined with hydrogen bond and electrostatic effects of polyhydric alcohol (polyatomic acid). And different synthetic process influencing the morphology and electrochemical hydrogen storage of material are discussed. Based on the SEM, TEM and theoretical calculation approach, the morphology, microstructure and adsorbtion status of hydroxyl and carboxyl group are investigated, then the formation mechanism is proposed. Electrochemical hydrogen storage performance is measured by electrochemical test system and cyclic voltammetry technique. And the relation between morphology, structure and property is discussed. The adsorbtion pattern between hydrogen molecule and materials is studied through density functional theory and Dmol3, and electrochemical hydrogen storage is proposed, which give us the opportunity to improve the electrochemical hydrogen storage performance and provide theoretical and experimental basis for the design and development of new and high efficient of electrochemical hydrogen storage material.

本项目拟采用水热、溶剂热以及离子热等低温合成技术，结合多元醇（酸）自身存在的氢键以及静电的相互作用，实现锑/铋的硫族化合物（Bi2S3 、Bi2Se3 、Sb2S3 、Sb2Se3）分级结构的可控构筑，并研究不同合成工艺及条件对材料的微观形貌以及电化学储氢性能的影响。采用扫描电镜、透射电镜以及理论计算等手段研究不同工艺参数下材料的形貌、微观结构以及羟基、羧基等分子的吸附状态，探讨其形成机理。采用电化学测试系统以及循环伏安技术不同工艺条件下样品的电化学储氢性能。讨论材料的形貌、结构以及性能之间的关系。采用密度泛函和Dmol3等方法研究氢分子与材料的吸附方式，讨论电化学储氢机理，寻找提高电化学储氢性能的有效途径，为设计开发新型高效的电化学储氢材料提供理论和实验依据。

本项目采用水（溶剂）热以及微波合成技术，在可控条件下制备了具有特定形貌、组成、结构且性能优异的锑/铋硫族化合物电极材料。并研究了不同合成工艺及条件对材料的微观形貌以及电化学储氢性能的影响。采用扫描电镜、透射电镜以及理论计算等手段研究材料的形貌、微观结构以及形成机理。采用电化学测试系统以及循环伏安技术不同工艺条件下样品的电化学储氢性能。分析了材料的形貌、结构与性能之间的关系。为设计开发新型高效的电化学储氢材料提供了理论和实验依据。