首页|Modulation of charge in C9N4 monolayer for a high-capacity hydrogen storage as a switchable strategy

Modulation of charge in C9N4 monolayer for a high-capacity hydrogen storage as a switchable strategy

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
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 hydro-gen storage with high capacity.

hydrogen storageC9N4 monolayercharge modulationdensity functional theory

Lin Ju、Junxian Liu、Minghui Wang、Shenbo Yang、Shuli Liu

展开 >

School of Physics and Electric Engineering,Anyang Normal University,Anyang 455000,China

School of Mechanical,Medical and Process Engineering,Queensland University of Technology,Brisbane QLD 4001,Australia

Hongzhiwei Technology(Shanghai)Co.Ltd.,1599 Xinjinqiao Road,Pudong,Shanghai 201206,China

Henan Scientific Research Fund for Returned Scholars,the Young Scientist Project of Henan ProvinceProgram for Science & Technology Innovation Talents in Universities of Henan ProvinceHenan College Key Research ProjectNatural Science Foundation of Henan ProvinceScientific Research Innovation Team Project of Anyang Normal UniversityCollege Students Innovation Fund of Anyang Normal University

22520081010324HASTIT01324A4300022323004201282023AYSYKYCXTD04202310479077

2024

10.1007/s11467-023-1385-0

物理学前沿
高等教育出版社

物理学前沿

CSTPCD
影响因子：0.816
ISSN：2095-0462
年,卷(期)：2024.19(4)