Research progress on hydrogen storage MOFs materials based on high-throughput screening and simulation
Hydrogen storage and transport is of great significance to the development of hydrogen energy,and the research on metal-organic frameworks(MOFs)for hydrogen storage has grown significantly in recent years.The paper discusses and summarises the simulation and theoretical calculation of MOFs materials for hydrogen storage,database of hydrogen storage materials,high-throughput structure screening of MOFs materials for hydrogen storage and theoretical design of machine learning,etc.The paper also collates and elaborates the research ideas and progress of computational simulation methods in MOFs materials for hydrogen storage,which provides theoretical basis for promoting the rapid application of MOFs materials for hydrogen storage.
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维普
