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Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.148657
Abstract: Abstract Using density functional theory the electronic and optical properties of newly proposed two-dimensional (2D) materials namely ‘BX (X=N, P) doped twin-graphene’ have been explored. Formation of all these structures is energetically favourable as they…
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Keywords:
boron phosphide;
graphene;
boron nitride;
nitride boron ... See more keywords
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Published in 2021 at "Fuel"
DOI: 10.1016/j.fuel.2021.121351
Abstract: Abstract The exploitation of solid hydrogen storage materials is an essential part of the large-scale utilization of hydrogen energy. However, existing hydrogen storage materials cannot have both high hydrogen density and great stability at ambient…
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Keywords:
hydrogen storage;
hydrogen;
boron;
twin graphene ... See more keywords
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Published in 2019 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2019.109115
Abstract: Abstract Twin graphene is a new allotrope of carbon that exhibits semiconducting properties. In the present work, structural and electronic properties of BN co-doped twin graphene and twin graphene-like BN-C sheets were studied by density…
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Keywords:
density functional;
structural electronic;
twin graphene;
electronic properties ... See more keywords
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Published in 2022 at "Materials"
DOI: 10.3390/ma15082876
Abstract: Twin T-graphene (TTG) is a new two-dimensional carbon allotrope of graphene. Heteroatom co-doping is an effective method for the modulation of the physical and chemical properties of two-dimensional materials. This study explored the structural stability,…
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Keywords:
region;
twin graphene;
concentration;
doping concentration ... See more keywords