Modulation of charge in C9N4 monolayer for a high-capacity hydrogen storage as a switchable strategy
Lin Ju1(), Junxian Liu2, Minghui Wang1, Shenbo Yang3, Shuli Liu1
1. School of Physics and Electric Engineering, Anyang Normal University, Anyang 455000, China 2. School of Mechanical, Medical and Process Engineering, Queensland University of Technology, Brisbane QLD 4001, Australia 3. Hongzhiwei Technology (Shanghai) Co. Ltd., 1599 Xinjinqiao Road, Pudong, Shanghai 201206, China
Developing advanced hydrogen storage materials with high capacity and efficient reversibility is a crucial aspect for utilizing hydrogen source as a promising alternate to fossil fuels. In this paper, we have systematically investigated the hydrogen storage properties of neutral and negatively charged C9N4 monolayer based on density functional theory (DFT). Our foundings indicate that injecting additional electrons into the adsorbent significantly boosts the adsorption capacity of C9N4 monolayer to H2 molecules. The gravimetric density of negatively charged C9N4 monolayer can reach up to 10.80 wt% when fully covered with hydrogen. Unlike other hydrogen storage methods, the storage and release processes happen automatically upon introducing or removing extra electrons. Moreover, these operations can be easily adjusted through activating or deactivating the charging voltage. As a result, the method is easily reversible and has tunable kinetics without requiring particular activators. Significantly, C9N4 is proved to be a suitable candidate for efficient electron injection/release due to its well electrical conductivity. Our work can serve as a valuable guide in the quest for a novel category of materials for hydrogen storage with high capacity.
. [J]. Frontiers of Physics, 2024, 19(4): 43208.
Lin Ju, Junxian Liu, Minghui Wang, Shenbo Yang, Shuli Liu. Modulation of charge in C9N4 monolayer for a high-capacity hydrogen storage as a switchable strategy. Front. Phys. , 2024, 19(4): 43208.
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