A multiporous carbon family with superior stability, tunable electronic structures and amazing hydrogen storage capability
Autor: | Xuechun Xu, Zheng Wang, Lianfang Xie, Yingxiang Cai |
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Rok vydání: | 2020 |
Předmět: |
Materials science
Band gap General Physics and Astronomy Diamond chemistry.chemical_element 02 engineering and technology engineering.material 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Stability (probability) 0104 chemical sciences Hydrogen storage chemistry Chemical physics engineering Density functional theory Graphite Physical and Theoretical Chemistry 0210 nano-technology Anisotropy Carbon |
Zdroj: | Physical Chemistry Chemical Physics. 22:9734-9739 |
ISSN: | 1463-9084 1463-9076 |
Popis: | The traditional view that natural allotropes are more stable than artificially synthesized structures is widely accepted. For instance, graphite and diamond are more energetically favorable than other new carbon allotropes no matter whether they are experimentally prepared or theoretically predicted. Surprisingly, we find that a family of multiporous carbon (N-diaphenes) could be thermodynamically more stable than natural diamond with the increase of its feature size parameter N. Multiporous N-diaphenes exhibit extremely strong anisotropic mechanical properties and their ideal strength linearly depends on the corresponding yield strain. Density functional theory (DFT) calculations reveal that the bandgap hierarchy of N-diaphenes is inherited from their precursors. In addition, N-diaphenes exhibit superior capability for hydrogen storage due to their large specific surface areas. |
Databáze: | OpenAIRE |
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