二维新型碳基材料储氢性能研究进展

Research Progress on Carbon Based Two-dimensional Hydrogen Storage Properties of New Materials

在化石能源发展接近于停滞以及世界各地人们对环保需求增多的背景下,发展绿色能源是符合当今世界发展的趋势。氢能作为绿色能源发展的一支,氢气的利用和制造均已达到成熟,经济高效的储存氢气是限制氢能源发展的障碍。世界各国学者对不同的碳基二维材料进行理论计算并且研究其储氢性能,大部分研究学者所使用的理论计算方法为密度泛函理论(DFT)。众多研究发现掺杂入Li原子之后二维材料的储氢性能是较为优异并且满足人们需求发展的,储氢能力能够达到10%左右。利用不同的掺杂原子修饰不同的二维材料会得到不同的理论计算结果。

Against the backdrop of near-stagnation of fossil energy and the increasing demands for environmental protection around the world,the development of green energy is in line with the trend of the world today.As the green energy,the use and manufacture of hydrogen has reached maturity while economic and efficient storage of hydrogen is a barrier to the development of hydrogen energy.Therefore,Scholars around the world have performed theoretical calculations on different carbon-based two-dimensional materials and studied their hydrogen storage properties.Density Functional Theory(DFT),the theoretical calculation method used by most researchers,have witnessed the hydrogen storage performance of two-dimensional materials doped with Li atoms,with a hydrogen storage capacity of about 10%,is excellent and adequate to meet the needs of development.However,different theoretical results can be obtained by using different doped atoms to modify different two-dimensional materials.