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Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol
Visible light active g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) ternary composite nanosheets were fabricated by facile co-precipitation routes. The density functional theory (DFT) computations investigated changes in geometry and electronic character of g-C(3)N(4) with CeO(2) and Fe(3)O(4) additi...
Autores principales: | , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6629633/ https://www.ncbi.nlm.nih.gov/pubmed/31308407 http://dx.doi.org/10.1038/s41598-019-46544-7 |
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author | Rashid, Jamshaid Parveen, Nadia Iqbal, Aneela Awan, Saif Ullah Iqbal, Naseem Talib, Shamraiz Hussain Hussain, Naveed Akram, Bilal Ulhaq, Ata Ahmed, Bilal Xu, Ming |
author_facet | Rashid, Jamshaid Parveen, Nadia Iqbal, Aneela Awan, Saif Ullah Iqbal, Naseem Talib, Shamraiz Hussain Hussain, Naveed Akram, Bilal Ulhaq, Ata Ahmed, Bilal Xu, Ming |
author_sort | Rashid, Jamshaid |
collection | PubMed |
description | Visible light active g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) ternary composite nanosheets were fabricated by facile co-precipitation routes. The density functional theory (DFT) computations investigated changes in geometry and electronic character of g-C(3)N(4) with CeO(2) and Fe(3)O(4) addition. Chemical and surface characterizations were explored with XRD, XPS, SEM, TEM, PL, DRS and Raman measurements. DRS and PL spectroscopy evidenced the energy band gap tailoring from 2.68 eV for bulk g-C(3)N(4) and 2.92 eV for CeO(2) to 2.45 eV for the ternary nanocomposite. Efficient electron/hole pair separation, increase in red-ox species and high exploitation of solar spectrum due to band gap tailoring lead to higher degradation efficiency of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)). Superior sun light photocatalytic breakdown of 2-Chlorophenol was observed with g-C(3)N(4) having CeO(2) loading up to 5 wt%. In case of ternary nanocomposites deposition of 1 wt% Fe(3)O(4) over g-C(3)N(4)/CeO(2) binary composite not only showed increment in visible light catalysis as predicted by the DFT studies, but also facilitated magnetic recovery. The g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets showed complete mineralization of 25 mg.L(−1) 2-CP((aq)) within 180 min exposure to visible portion of sun light and retained its high activity for 3 consecutive reuse cycles. The free radical scavenging showed superoxide ions and holes played a significant role compared to hydroxyl free radicals while chromatographic studies helped establish the 2-CP degradation mechanism. The kinetics investigations revealed 2.55 and 4.04 times increased rate of reactions compared to pristine Fe(3)O(4) and CeO(2), showing highest rate constant value of 18.2 × 10(−3) min(−1) for the ternary nanocomposite. We present very persuasive results that can be beneficial for exploration of further potential of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) in advance wastewater treatment systems. |
format | Online Article Text |
id | pubmed-6629633 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-66296332019-07-23 Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol Rashid, Jamshaid Parveen, Nadia Iqbal, Aneela Awan, Saif Ullah Iqbal, Naseem Talib, Shamraiz Hussain Hussain, Naveed Akram, Bilal Ulhaq, Ata Ahmed, Bilal Xu, Ming Sci Rep Article Visible light active g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) ternary composite nanosheets were fabricated by facile co-precipitation routes. The density functional theory (DFT) computations investigated changes in geometry and electronic character of g-C(3)N(4) with CeO(2) and Fe(3)O(4) addition. Chemical and surface characterizations were explored with XRD, XPS, SEM, TEM, PL, DRS and Raman measurements. DRS and PL spectroscopy evidenced the energy band gap tailoring from 2.68 eV for bulk g-C(3)N(4) and 2.92 eV for CeO(2) to 2.45 eV for the ternary nanocomposite. Efficient electron/hole pair separation, increase in red-ox species and high exploitation of solar spectrum due to band gap tailoring lead to higher degradation efficiency of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)). Superior sun light photocatalytic breakdown of 2-Chlorophenol was observed with g-C(3)N(4) having CeO(2) loading up to 5 wt%. In case of ternary nanocomposites deposition of 1 wt% Fe(3)O(4) over g-C(3)N(4)/CeO(2) binary composite not only showed increment in visible light catalysis as predicted by the DFT studies, but also facilitated magnetic recovery. The g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets showed complete mineralization of 25 mg.L(−1) 2-CP((aq)) within 180 min exposure to visible portion of sun light and retained its high activity for 3 consecutive reuse cycles. The free radical scavenging showed superoxide ions and holes played a significant role compared to hydroxyl free radicals while chromatographic studies helped establish the 2-CP degradation mechanism. The kinetics investigations revealed 2.55 and 4.04 times increased rate of reactions compared to pristine Fe(3)O(4) and CeO(2), showing highest rate constant value of 18.2 × 10(−3) min(−1) for the ternary nanocomposite. We present very persuasive results that can be beneficial for exploration of further potential of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) in advance wastewater treatment systems. Nature Publishing Group UK 2019-07-15 /pmc/articles/PMC6629633/ /pubmed/31308407 http://dx.doi.org/10.1038/s41598-019-46544-7 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Rashid, Jamshaid Parveen, Nadia Iqbal, Aneela Awan, Saif Ullah Iqbal, Naseem Talib, Shamraiz Hussain Hussain, Naveed Akram, Bilal Ulhaq, Ata Ahmed, Bilal Xu, Ming Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title | Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title_full | Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title_fullStr | Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title_full_unstemmed | Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title_short | Facile synthesis of g-C(3)N(4(0.94))/CeO(2(0.05))/Fe(3)O(4(0.01)) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol |
title_sort | facile synthesis of g-c(3)n(4(0.94))/ceo(2(0.05))/fe(3)o(4(0.01)) nanosheets for dft supported visible photocatalysis of 2-chlorophenol |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6629633/ https://www.ncbi.nlm.nih.gov/pubmed/31308407 http://dx.doi.org/10.1038/s41598-019-46544-7 |
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