Title:    Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity - data

Citation
Ashritha MG, Rondiya SR, Cross RW, et al.  (2021). Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity - data. Cardiff University. https://doi.org/10.17035/d.2021.0126100872

Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2021

Coverage start date: 06/07/2020

Coverage end date: 06/01/2021

Data format: xlsx

Software Required: VESTA software

Estimated total storage size of dataset: Less than 100 megabytes

DOI : 10.17035/d.2021.0126100872

DOI URL: http://doi.org/10.17035/d.2021.0126100872

Related URL: https://sites.google.com/view/nelsondzade/research

Description

Herein, the carbon quantum dots (CQDs) are anchored on reduced graphene oxide (rGO) sheets by the sonochemical-assisted method. The developed carbon quantum dots/ reduced graphene oxide (CQDs/rGO) catalyst shows the enhancement in the photocatalytic degradation of Methylene Blue and Methyl Orange under visible light compared to that of individual components such as CQDs and rGO, which is due to efficient separation of photogenerated charge carriers as studied by photoluminescence studies and increase in surface area as studied by Brunauer-Emmett-Teller method. The photocatalytic degradation is studied in detail by varying catalysts loading, dye concentration, and the rate constant is determined by first-order kinetics. Further, the enhancement in photocatalytic activity of CQDs/rGO catalyst is validated by first-principles Density Functional Theory (DFT) calculations which shows enrichment in the density of states thereby decreasing the work function. 

Data underpinning the work (experimental and theory) are available in the .xlsx format (can be viewed either by MS Office or Libre Office) comprising 22 datasheets named according to their contents or Figure numbers as they appear in the manuscript. Data for the optimized rGO, CQD, and rGO/CQD heterostructure are available in CONTCAR format of the VASP simulation program and can be visualized using the VESTA software.  

Research resutls based upon these data are published at https://doi.org/10.1016/j.apsusc.2021.148962