Charge-controlled switchable H2 storage on conductive borophene nanosheet. (26th July 2019)

• Record Type: Journal Article
• Authors: Li, Xiaofang; Tan, Xin; Xue, Qingzhong; Smith, Sean
• Is Part Of: International journal of hydrogen energy. Volume 44:Number 36(2019)
• Page Start: 20150
• Page End: 20157
• Publication Date: 2019-07-26
• Subjects: H2 storage -- Charge-modulated -- DFT calculations -- Adsorption energy -- Borophene; Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2019.05.225
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: 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. Graphical abstract: Image 1 Highlights: The positively or negatively charged borophene shows high H2 adsorption capacity. H2 adsorption and desorption are simply modulated by injecting and removing extra charges. The positively or negatively charged borophene could achieve H2 storage capacities of 6.5 wt%.