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- W2969890216 abstract "Owing to the existence of periodic channels in phosphorene, this 2D material can be a good candidate for room temperature reversible hydrogen storage. The density functional theory calculations (DFT), including van der Waals interactions (vdW-DF2) coupled with the cooper exchange functional (C09), has been applied to study the potential of phosphorene as a new 2D material for hydrogen storage. Our results show that the adsorption energy (−292 to −277 meV) of H2 on phosphorene is appropriate for storage. The analysis of diffusion pathways between different physisorbed states on phosphorene shows that a single hydrogen molecule diffuses very easily along the open channel (less than 1 meV along the zigzag direction), as compared to 14 meV for diffusion across the channels (along the armchair direction). The potential energy surfaces for the dissociative chemisorption of H2 was computed on highly symmetric sites of phosphorene and the highest activation barrier was found to be 2.77 eV. The very large dissociation energy coupled with a strong physisorption of H2 on phosphorene and facile diffusion, makes this 2D material a promising candidate for H2 storage at room temperature." @default.
- W2969890216 created "2019-08-29" @default.
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- W2969890216 date "2019-09-01" @default.
- W2969890216 modified "2023-09-28" @default.
- W2969890216 title "Phosphorene: A promising candidate for H2 storage at room temperature" @default.
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- W2969890216 cites W1981158529 @default.
- W2969890216 cites W1981368803 @default.
- W2969890216 cites W1985521718 @default.
- W2969890216 cites W1987857327 @default.
- W2969890216 cites W1989293511 @default.
- W2969890216 cites W1995794619 @default.
- W2969890216 cites W1997084402 @default.
- W2969890216 cites W2000669372 @default.
- W2969890216 cites W2000967963 @default.
- W2969890216 cites W2004055121 @default.
- W2969890216 cites W2009392824 @default.
- W2969890216 cites W2009924367 @default.
- W2969890216 cites W2015201481 @default.
- W2969890216 cites W2021601260 @default.
- W2969890216 cites W2024227324 @default.
- W2969890216 cites W2031430816 @default.
- W2969890216 cites W2034580462 @default.
- W2969890216 cites W2039293576 @default.
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- W2969890216 cites W2076633708 @default.
- W2969890216 cites W2078086786 @default.
- W2969890216 cites W2089667279 @default.
- W2969890216 cites W2103111465 @default.
- W2969890216 cites W2106849118 @default.
- W2969890216 cites W2122427541 @default.
- W2969890216 cites W2129287860 @default.
- W2969890216 cites W2145746172 @default.
- W2969890216 cites W2153500537 @default.
- W2969890216 cites W2155586635 @default.
- W2969890216 cites W2156592662 @default.
- W2969890216 cites W2167383445 @default.
- W2969890216 cites W2167897131 @default.
- W2969890216 cites W2230728100 @default.
- W2969890216 cites W2252309043 @default.
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- W2969890216 cites W2312811315 @default.
- W2969890216 cites W2328693795 @default.
- W2969890216 cites W2331497220 @default.
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- W2969890216 cites W2568277429 @default.
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- W2969890216 cites W2804209470 @default.
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- W2969890216 doi "https://doi.org/10.1016/j.ijhydene.2019.07.194" @default.
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