Charge-controlled switchable H₂ storage on conductive borophene nanosheet

Conductive borophene nanostructures are proposed as an excellent candidate material for charge-controlled switchable H₂ storage. Based on density functional theory calculations, we investigate the H₂ adsorption on the charged borophene nanosheet. It is found that the adsorption energies of H₂ on either positively or negatively charged borophene nanosheets are dramatically enhanced in compared with the neutral material. Charge modulation strategies therefore offer the potential for spontaneous, controllable H₂ storage and release. Moreover, the positive or negative charging of borophene nanosheets can in principle achieve H₂ storage capacities of 6.5 wt%. These results could provide new insights in searching for materials with exceptionally high H₂ storage capacity.