2010
DOI: 10.1007/s10450-010-9235-0
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A review of boron enhanced nanoporous carbons for hydrogen adsorption: numerical perspective

Abstract: We review the current achievements in the numerical studies of adsorption of molecular hydrogen in boron substituted nanoporous carbons. We show that the enhanced attraction of H-2 by boron-substituted all-carbon structures may allow designing new porous materials with modulated capacity for hydrogen adsorption. Such new structures are characterized by modification of energy landscape of adsorbing surfaces extending beyond the vicinity of substituted atom over several graphene carbon sites, and show strong sur… Show more

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Cited by 37 publications
(25 citation statements)
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“…Notwithstanding the fact that the N‐doped carbon coated NVP materials have shown exceptional electrochemical performance, the N‐doped carbon materials are relatively sensitive to moisture and oxygen, which unfavorably affects their conductivity. Boron‐doped carbon materials prepared by using boron trichloride (BCl 3 ), borane‐tetrahydrofuran adduct (BH 3 ‐THF) or boron oxide (B 2 O 3 ) as boron agent have demonstrated high conductivity regardless of environment influence . For example, Wang et al used sodium tetraphenylborate (NaBC 24 H 20 ) as boron source to prepare the boron‐doped carbon coated NVP (NVP‐C‐B) composites via a facile sol–gel approach .…”
Section: Components Of Sodium‐ion Batteriesmentioning
confidence: 99%
“…Notwithstanding the fact that the N‐doped carbon coated NVP materials have shown exceptional electrochemical performance, the N‐doped carbon materials are relatively sensitive to moisture and oxygen, which unfavorably affects their conductivity. Boron‐doped carbon materials prepared by using boron trichloride (BCl 3 ), borane‐tetrahydrofuran adduct (BH 3 ‐THF) or boron oxide (B 2 O 3 ) as boron agent have demonstrated high conductivity regardless of environment influence . For example, Wang et al used sodium tetraphenylborate (NaBC 24 H 20 ) as boron source to prepare the boron‐doped carbon coated NVP (NVP‐C‐B) composites via a facile sol–gel approach .…”
Section: Components Of Sodium‐ion Batteriesmentioning
confidence: 99%
“…The optimum pore diameter/width is about 0.7 nm, as predicted by Monte-Carlo simulations. [23][24][25] Therefore, it is easy to predict that hydrogen adsorption is feasible only on the surface of graphite and not in the layers between the graphite sheets. Thus, it is necessary to expand the width between the graphite layers.…”
Section: Discussionmentioning
confidence: 99%
“…In addition, the MPV was increased by the loaded vanadium catalyst because small mesopores were changed into micropores through a special reduction process. It is well known that micropore structures are beneficial for advanced hydrogen storage 18,19,[23][24][25] ; therefore, one can expect hydrogen storage to improve with an enlarged pore structure and controlled pore size.…”
Section: 12mentioning
confidence: 99%
“…It aims at totally new architectures based on larger supra-molecular structures, which can be built from fragmented and chemically modified graphene structures. Typical porous activated carbon, are not able to achieve the required capacity, mainly, due to the weak energy of interaction and too low surface accessible for adsorption (below 3,500 m 2 /g, Kuchta et al 2010). Important limiting factor is the H 2 -H 2 interaction, which is not strong enough to make a multilayer hydrogen adsorption at ambient temperatures.…”
Section: Introductionmentioning
confidence: 99%
“…Many of them are not stable enough. Hydrogen can be stored in solid materials by chemisorption (atomic form) or by physisorption (molecular form) (Kuchta et al 2010;Firlej et al 2009). Metal hydrides and complex hydrides are investigated systems and well known for reversible hydrogen storage by chemisorption.…”
Section: Introductionmentioning
confidence: 99%