Carbon nanodots from an in silico perspective
Carbon nanodots (CNDs) are the latest and most shining rising stars among
photoluminescent (PL) nanomaterials. These carbon-based surface-passivated …
photoluminescent (PL) nanomaterials. These carbon-based surface-passivated …
Diamond-like amorphous carbon
J Robertson - Materials science and engineering: R: Reports, 2002 - Elsevier
Diamond-like carbon (DLC) is a metastable form of amorphous carbon with significant sp3
bonding. DLC is a semiconductor with a high mechanical hardness, chemical inertness, and …
bonding. DLC is a semiconductor with a high mechanical hardness, chemical inertness, and …
Machine learning based interatomic potential for amorphous carbon
We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid
and amorphous elemental carbon. Based on a machine learning representation of the …
and amorphous elemental carbon. Based on a machine learning representation of the …
Nanoporous amorphous carbon nanopillars with lightweight, ultrahigh strength, large fracture strain, and high dam** capability
Simultaneous achievement of lightweight, ultrahigh strength, large fracture strain, and high
dam** capability is challenging because some of these mechanical properties are …
dam** capability is challenging because some of these mechanical properties are …
Amorphous carbon films for electronic applications
While various crystalline carbon allotropes, including graphene, have been actively
investigated, amorphous carbon (a‐C) thin films have received relatively little attention. The …
investigated, amorphous carbon (a‐C) thin films have received relatively little attention. The …
Graphitization of amorphous carbons: A comparative study of interatomic potentials
We perform a comparative study of six common carbon interatomic potentials: Tersoff, REBO-
II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are …
II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are …
Growth Mechanism and Origin of High Content in Tetrahedral Amorphous Carbon
We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular
dynamics simulations based on a machine-learned interatomic potential trained from density …
dynamics simulations based on a machine-learned interatomic potential trained from density …
hybridization ratio in amorphous carbon from C core-level shifts: X-ray photoelectron spectroscopy and first-principles calculation
Using a combined experimental and theoretical approach, we address C 1 s core-level shifts
in amorphous carbon. Experimental results are obtained by x-ray photoelectron …
in amorphous carbon. Experimental results are obtained by x-ray photoelectron …
[HTML][HTML] Hybrid carbon based nanomaterials for electrochemical detection of biomolecules
By combining different allotropic forms of carbon at the nanoscale it is possible to fabricate
tailor made surfaces with unique properties. These novel materials have shown high …
tailor made surfaces with unique properties. These novel materials have shown high …
Generalizing the environment-dependent interaction potential for carbon
NA Marks - Physical Review B, 2000 - APS
A transferable empirical potential for carbon is developed by extending the environment-
dependent interaction potential proposed for silicon. Generalized coordination functions …
dependent interaction potential proposed for silicon. Generalized coordination functions …