Modeling Of Hydrogen Weight Storagecapacity In Solid Porous Silicon

Silicon-hydrogen crystalline models are proposed to estimate theoretical hydrogen storage capacity in porous silicon media with nanostructure features like cubic nodules, columnar forests and thin wall honeycomb like networks. To simulate these nanostructure features and their hydrogen storage capacities, three basic crystalline types (cubic, column and plate) have been developed as building blocks for constructing H-Si weight storage models under the assumption of that hydrogen is chemically bonded to available surface silicon atoms. Using these models, the hydrogen weight storage capacity for all feature dimensions from unit to infinitely long can be estimated. According to these theoretical models, the best nanostructure for hydrogen storage is cubic nodule, columnar forest and thin wall network in that order. They have weight storage capacity limits of 5.77%, 5.21% and 2.78% respectively for infinitely large feature dimensions.