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


Citation
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



Access Rights: Data is provided under a Creative Commons Attribution (CC BY 4.0) licence

Access Method: Click to email a request for this data to opendata@cardiff.ac.uk


Cardiff University Dataset Creators


Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2020

Coverage start date: 01/01/2020

Coverage end date: 30/06/2020

Data format: .xlsx

Software Required: VESTA

DOI : 10.17035/d.2020.0112140691

DOI URL: http://doi.org/10.17035/d.2020.0112140691


Description

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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Last updated on 2020-28-09 at 13:35