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

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