화학공학소재연구정보센터
International Journal of Hydrogen Energy, Vol.44, No.36, 20150-20157, 2019
Charge-controlled switchable H-2 storage on conductive borophene nanosheet
Conductive borophene nanostructures are proposed as an excellent candidate material for charge-controlled switchable H-2 storage. Based on density functional theory calculations, we investigate the H-2 adsorption on the charged borophene nanosheet. It is found that the adsorption energies of H-2 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 H-2 storage and release. Moreover, the positive or negative charging of borophene nanosheets can in principle achieve H-2 storage capacities of 6.5 wt%. These results could provide new insights in searching for materials with exceptionally high H-2 storage capacity. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.