Family of Magic‐Sized Carbon Clusters on Transition Metal Substrates
Sign Up to like & getrecommendations! Published in 2020 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202006671
Abstract: Highly‐stable carbon clusters on transition metal substrates play an important role in the bottom‐up approaches for synthesizing graphene quantum dots, graphene nanoribbons, and novel graphene nanostructures. Here, the discovery of a series of magic‐sized carbon… read more here.
Keywords: transition metal; carbon; sized carbon; magic sized ... See more keywords
New Ordered Structure of Amorphous Carbon Clusters Induced by Fullerene-Cubane Reactions.
Sign Up to like & getrecommendations! Published in 2018 at "Advanced materials"
DOI: 10.1002/adma.201706916
Abstract: As a new category of solids, crystalline materials constructed with amorphous building blocks expand the structure categorization of solids, for which designing such new structures and understanding the corresponding formation mechanisms are fundamentally important. Unlike… read more here.
Keywords: new ordered; carbon; carbon clusters; amorphous carbon ... See more keywords
Adsorption and dissociation of carbon monoxide on iron and iron-carbon clusters: Fen + 2CO and FenC + 2CO, n = 4 and 7. A theoretical study
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.02.018
Abstract: Abstract In this work is studied the adsorption and reduction of carbon monoxide, CO, catalyzed by neutral and charged iron clusters, through the Fen0, ±1 + 2CO → FenC0, ±1 + CO2 (n = 4, 7) reactions in the gas phase. It was… read more here.
Keywords: iron carbon; carbon; kcal mol; carbon clusters ... See more keywords
Th doped carbon clusters ThCn (n = 1–7): Stability and bonding natures
Sign Up to like & getrecommendations! Published in 2019 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2019.05.003
Abstract: Abstract The hybrid HF/DFT functionals in conjunction with small-core pseudopotential have been employed to investigate the geometric and electronic structures of small ThCn (n = 1–7) clusters. The fan-type isomers were found to be more stable than… read more here.
Keywords: doped carbon; carbon clusters; stability bonding; stability ... See more keywords
Copper-carbon clusters CunCm (n, m = 1–6): Segregation, bonding and Raman spectra
Sign Up to like & getrecommendations! Published in 2021 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2021.102035
Abstract: Abstract Structural and electronic properties of the lowest-energy structures of CunCm (n, m = 1-6) clusters have been calculated using density functional theory. Among these thirty-six doped clusters, the segregation effect between carbon and copper atom is… read more here.
Keywords: cuncm segregation; copper; carbon clusters; clusters cuncm ... See more keywords
Recording of carbon clusters and (–СН2–)n radicals in a vacuum at the site of irradiation (in situ) of polyethylene
Sign Up to like & getrecommendations! Published in 2021 at "Polymer Degradation and Stability"
DOI: 10.1016/j.polymdegradstab.2021.109682
Abstract: Abstract For the first time, absorption bands of C atoms and carbon clusters C2, C3, C4, C5, and C6 were found in irradiated polyethylene. The relationship between the type and mass of –CH2–, –C2H4–, –C3H6–,… read more here.
Keywords: absorption bands; irradiation situ; carbon clusters; site irradiation ... See more keywords
Transformation of Amorphous Carbon Clusters to Fullerenes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b04030
Abstract: Transformation of amorphous carbon clusters into fullerenes under high temperature is studied using molecular dynamics simulations at microsecond times. On the basis of the analysis of both the structure and energy of the system, it… read more here.
Keywords: carbon; carbon clusters; transformation; transformation amorphous ... See more keywords
Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b05637
Abstract: The detonation of carbon-rich high explosives yields solid carbon as a major constituent of the product mixture, and depending on the thermodynamic conditions behind the shock front, a variety of carbon allotropes and morphologies may… read more here.
Keywords: pbx 9502; carbon; evolution carbon; carbon clusters ... See more keywords