Teitl: Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach - data

Dyfyniad
Yashwanth HJ, Rondiya SR, Dzade NY, et al. (2020). Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach - data. Cardiff University. http://doi.org/10.17035/d.2020.0112140691


Hawliau Mynediad: Darperir Data dan drwydded Creative Commons Attribution (CC BY 4.0)
Dull Mynediad: I anfon cais i gael y data hwn, ebostiwch opendata@caerdydd.ac.uk

Crewyr y Set Ddata o Brifysgol Caerdydd

Manylion y Set Ddata
Cyhoeddwr: Cardiff University
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2020
Dyddiad dechrau creu'r data: 01.01.2020
Dyddiad gorffen creu'r data: 30.06.2020
Fformat y data: .xlsx
Meddalwedd ofynnol: VESTA
DOI: 10.17035/d.2020.0112140691

Disgrifiad

Herein, we demonstrate the single-step microwave radiation assisted approach to develop nitrogen (N) and phosphorous (P) co-doped carbon quantum dots (NP-CQD). The developed NP-CQD showed enhancement in visible light photocatalytic activity towards methylene blue dye degradation than that of N-CQD and P-CQD due to creation of energy states thereby decrease in its work function which is corroborated by Ultraviolet photoelectron spectroscopy as determined experimentally as well as first principles Density Functional Theory (DFT) calculations as determined theoretically.

The experimental and Density functional theory (DFT) theoretical simulation datasets are available in the .xlsx format (can be viewed either by MS Office or Libre Office) comprising 11 datasheets. The experimental data consist of UV-Visible absorption spectrum; XRD patterns; high-resolution XPS; Ultraviolet photoelectron spectrum; UV-Visible spectrum of MB degradation. The DFT data is comprised of optimized structures for the pure, nitrogen (N) and phosphorous (P) co-doped carbon quantum dots (NP-CQD). The CONTCAR files consist of lattice parameter and atomic positions and can be viewed either by VESTA program, MS Office or WordPad.

Research results based upon these data are published at https://doi.org/10.1016/j.vacuum.2020.109589



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