Carbon nanotube-carbyne composite: A nanoreactor in a quasi-1D liquid state
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.03.020
Abstract: Abstract It has recently been shown by Shi et al. that incredibly long carbyne chains up to 6000 atoms can be grown experimentally inside double walled carbon nanotube nanoreactors. The nanotubes stabilize these carbyne chains.… read more here.
Keywords: carbon; liquid state; carbyne chains; carbyne ... See more keywords
Monomolecular wire cutting of copper nanocolumns via carbyne
Sign Up to like & getrecommendations! Published in 2020 at "Extreme Mechanics Letters"
DOI: 10.1016/j.eml.2020.100922
Abstract: Abstract In many sci-fi works, a monomolecular wire – a single chain of atoms – is “sharp” enough to slice through any material, no matter how strong. Carbyne – a one-dimensional monoatomistic chain of sp-hybridized… read more here.
Keywords: wire cutting; carbyne; wire; copper ... See more keywords
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation
Sign Up to like & getrecommendations! Published in 2020 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2020.119745
Abstract: Abstract A large number of catalysts for hydrogen evolution reaction (HER) that are related (structurally and/or functionally) to the active site of [FeFe]-hydrogenases (H-cluster) has been proposed in the past few decades. Very recently, a… read more here.
Keywords: dft; importance cyanide; carbyne; hydrogenase ... See more keywords
Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature
Sign Up to like & getrecommendations! Published in 2020 at "Sustainable Energy and Fuels"
DOI: 10.1039/c9se00706g
Abstract: We have studied carbyne as a promising hydrogen storage material. Density functional theory simulations with vdW corrections have been used to investigate lithium sorption on carbyne and the interaction of pristine and Li-functionalized carbon chains… read more here.
Keywords: hydrogen storage; hydrogen; carbyne; van hoff ... See more keywords