氢能存储材料的性能优化与应用
摘要
氢能作为一种清洁能源，其高效存储是实现氢能广泛应用的关键。本研究聚焦于氢能存储材料的性能优化与应用，旨在通过系统研究提升储氢材料的能量密度、循环稳定性和安全性。基于当前储氢材料存在的能量密度低、充放氢速率慢等问题，采用理论计算与实验相结合的方法，对多种储氢材料进行改性研究。选取具有代表性的金属氢化物和有机化合物作为研究对象，利用第一性原理计算预测潜在的高性能储氢材料，并通过合成制备、结构表征及性能测试验证理论预测结果。研究发现，通过元素掺杂和纳米结构设计可显著提高金属氢化物的储氢容量和反应动力学性能；对于有机化合物，引入特定官能团能够增强其吸氢能力并改善热稳定性。创新点在于提出了一种基于多尺度模拟与实验反馈的协同优化策略，实现了储氢材料性能的精准调控。该研究为开发新型高效储氢材料提供了理论依据和技术支持，有望推动氢能技术在交通、储能等领域的实际应用进程，对构建可持续能源体系具有重要意义。
关键词：氢能存储；储氢材料性能优化；金属氢化物改性
Abstract
Hydrogen energy, as a clean energy source, requires efficient storage for its widespread application, and this study focuses on optimizing the performance and application of hydrogen storage materials to enhance their energy density, cycling stability, and safety. Addressing the current issues of low energy density and slow hydrogen absorption/desorption rates in existing materials, this research combines theoretical calculations with experimental methods to modify various hydrogen storage materials. Representative me tal hydrides and organic compounds were selected as research subjects; first-principles calculations were employed to predict potential high-performance hydrogen storage materials, which were then validated through synthesis preparation, structural characterization, and performance testing. It was found that elemental doping and nanostructural design significantly improved the hydrogen storage capacity and reaction kinetics of me tal hydrides, while introducing specific functional groups enhanced the hydrogen absorption capability and thermal stability of organic compounds. An innovative aspect of this study is the proposal of a synergistic optimization strategy based on multiscale simulations and experimental feedback, achieving precise control over the performance of hydrogen storage materials. This research provides theoretical foundations and technical support for developing new efficient hydrogen storage materials, potentially accelerating the practical application of hydrogen energy technology in transportation, energy storage, and other fields, thus contributing significantly to the establishment of a sustainable energy system.
Keywords：Hydrogen Energy Storage; Hydrogen Storage Material Performance Optimization; me tal Hydride Modification
目 录
摘要 I
Abstract II
一、绪论 1
(一) 氢能存储材料研究的背景与意义 1
(二) 国内外研究现状综述 1
(三) 本文研究方法与技术路线 2
二、氢能存储材料性能影响因素 2
(一) 材料微观结构对储氢性能的影响 2
(二) 表面修饰对储氢效率的提升 3
(三) 温度压力对储氢容量的影响 3
三、氢能存储材料性能优化策略 4
(一) 新型复合材料的设计与合成 4
(二) 催化剂对储氢反应的促进作用 5
(三) 纳米化改性提高储氢速率 6
四、氢能存储材料的应用探索 7
(一) 在燃料电池中的应用前景 7
(二) 在氢能汽车领域的应用实践 7
(三) 面向可再生能源的储能方案 8
结 论 9
参考文献 10
摘要
氢能作为一种清洁能源，其高效存储是实现氢能广泛应用的关键。本研究聚焦于氢能存储材料的性能优化与应用，旨在通过系统研究提升储氢材料的能量密度、循环稳定性和安全性。基于当前储氢材料存在的能量密度低、充放氢速率慢等问题，采用理论计算与实验相结合的方法，对多种储氢材料进行改性研究。选取具有代表性的金属氢化物和有机化合物作为研究对象，利用第一性原理计算预测潜在的高性能储氢材料，并通过合成制备、结构表征及性能测试验证理论预测结果。研究发现，通过元素掺杂和纳米结构设计可显著提高金属氢化物的储氢容量和反应动力学性能；对于有机化合物，引入特定官能团能够增强其吸氢能力并改善热稳定性。创新点在于提出了一种基于多尺度模拟与实验反馈的协同优化策略，实现了储氢材料性能的精准调控。该研究为开发新型高效储氢材料提供了理论依据和技术支持，有望推动氢能技术在交通、储能等领域的实际应用进程，对构建可持续能源体系具有重要意义。
关键词：氢能存储；储氢材料性能优化；金属氢化物改性
Abstract
Hydrogen energy, as a clean energy source, requires efficient storage for its widespread application, and this study focuses on optimizing the performance and application of hydrogen storage materials to enhance their energy density, cycling stability, and safety. Addressing the current issues of low energy density and slow hydrogen absorption/desorption rates in existing materials, this research combines theoretical calculations with experimental methods to modify various hydrogen storage materials. Representative me tal hydrides and organic compounds were selected as research subjects; first-principles calculations were employed to predict potential high-performance hydrogen storage materials, which were then validated through synthesis preparation, structural characterization, and performance testing. It was found that elemental doping and nanostructural design significantly improved the hydrogen storage capacity and reaction kinetics of me tal hydrides, while introducing specific functional groups enhanced the hydrogen absorption capability and thermal stability of organic compounds. An innovative aspect of this study is the proposal of a synergistic optimization strategy based on multiscale simulations and experimental feedback, achieving precise control over the performance of hydrogen storage materials. This research provides theoretical foundations and technical support for developing new efficient hydrogen storage materials, potentially accelerating the practical application of hydrogen energy technology in transportation, energy storage, and other fields, thus contributing significantly to the establishment of a sustainable energy system.
Keywords：Hydrogen Energy Storage; Hydrogen Storage Material Performance Optimization; me tal Hydride Modification
目 录
摘要 I
Abstract II
一、绪论 1
(一) 氢能存储材料研究的背景与意义 1
(二) 国内外研究现状综述 1
(三) 本文研究方法与技术路线 2
二、氢能存储材料性能影响因素 2
(一) 材料微观结构对储氢性能的影响 2
(二) 表面修饰对储氢效率的提升 3
(三) 温度压力对储氢容量的影响 3
三、氢能存储材料性能优化策略 4
(一) 新型复合材料的设计与合成 4
(二) 催化剂对储氢反应的促进作用 5
(三) 纳米化改性提高储氢速率 6
四、氢能存储材料的应用探索 7
(一) 在燃料电池中的应用前景 7
(二) 在氢能汽车领域的应用实践 7
(三) 面向可再生能源的储能方案 8
结 论 9
参考文献 10
