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- SWCNT DatasetThis is the dataset used for DNN training in the research paper: Čanađija, M.: Deep learning framework for carbon nanotubes: mechanical properties and modeling strategies, Carbon (2021). https://doi.org/10.1016/j.carbon.2021.08.091 It contains basic data about configurations and corresponding mechanical properties for all single-walled carbon nanotubes with diameter up to 4 nm. The dataset was obtained by MD simulations in LAMMPS using modified AIREBO potential. For all other details, please consult the above paper. The column names are self-explanatory. In the case you find this dataset useful, please cite the above paper. Full bibliographic data can be found at the listed DOI link.
- Data for: Mechanism of CO2 conversion into methanol and methane at the edge of graphitic carbon nitride sheet: a first-principle studyStructures-cif format
- Data for: Structural, Electronic and Mechanical Properties of all-sp$^2$ Carbon Allotropes with Density Lower Than GrapheneAb-initio molecular dynamics simulation of tilene at 500 K
- Data for: Structural, Electronic and Mechanical Properties of all-sp$^2$ Carbon Allotropes with Density Lower Than GrapheneData report the x (second colum), y (third column), z (fourth column) cartesian coordinates of the atomic centers whose atomic species are specified in the first column (C = carbon). First line of the file reports the number of atoms in the unit cell, second line the cell size defining the periodic boundary conditions. Data are all in Angstrom.
- Data for: Structural, Electronic and Mechanical Properties of all-sp$^2$ Carbon Allotropes with Density Lower Than GrapheneData report the stress-strain relationships for the materials proposed. Strain is reported in the first column (which must be multiplied by 2 to obtain the true strain). In the right column one may find the stress in Kbar. The cell in the direction orthogonal to the plane measures 20 Angstrom.
- Data for: Tuning the Composition and Morphology of Carbon Nanotube-copper InterfaceThe XPS and XRD data of the samples with different surface treatments.
- Data for: Quaternary ammonium modified carbon quantum dots as an antimicrobial agent against gram-positive bacteria for the treatment of MRSA-infected pneumonia in miceThis data mainly contains the data of the graph in the paper.
- Data for: Influence of interface dipole layers on the performance of graphene field effect transistorsPhotoemission spectroscopy data used in Figs.2-7.
- Data for: Enhanced nonlinear absorption and ultrafast carrier dynamics in graphene/gold nanoparticles nanocompositesExperiment Data
- Data for: Efficient and controllable growth of vertically oriented graphene nanosheets by mesoplasma chemical vapor depositionGrowth rate and Raman analysis
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