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Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective
Splitting of water with the help of photocatalysts has gained a strong interest in the scientific community for producing clean energy, thus requiring novel semiconductor materials to achieve high-yield hydrogen production. The emergence of 2D nanoscale materials with remarkable electronic and optic...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8954018/ https://www.ncbi.nlm.nih.gov/pubmed/35329672 http://dx.doi.org/10.3390/ma15062221 |
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author | Jakhar, Mukesh Kumar, Ashok Ahluwalia, Pradeep K. Tankeshwar, Kumar Pandey, Ravindra |
author_facet | Jakhar, Mukesh Kumar, Ashok Ahluwalia, Pradeep K. Tankeshwar, Kumar Pandey, Ravindra |
author_sort | Jakhar, Mukesh |
collection | PubMed |
description | Splitting of water with the help of photocatalysts has gained a strong interest in the scientific community for producing clean energy, thus requiring novel semiconductor materials to achieve high-yield hydrogen production. The emergence of 2D nanoscale materials with remarkable electronic and optical properties has received much attention in this field. Owing to the recent developments in high-end computation and advanced electronic structure theories, first principles studies offer powerful tools to screen photocatalytic systems reliably and efficiently. This review is organized to highlight the essential properties of 2D photocatalysts and the recent advances in the theoretical engineering of 2D materials for the improvement in photocatalytic overall water-splitting. The advancement in the strategies including (i) single-atom catalysts, (ii) defect engineering, (iii) strain engineering, (iv) Janus structures, (v) type-II heterostructures (vi) Z-scheme heterostructures (vii) multilayer configurations (viii) edge-modification in nanoribbons and (ix) the effect of pH in overall water-splitting are summarized to improve the existing problems for a photocatalytic catalytic reaction such as overcoming large overpotential to trigger the water-splitting reactions without using cocatalysts. This review could serve as a bridge between theoretical and experimental research on next-generation 2D photocatalysts. |
format | Online Article Text |
id | pubmed-8954018 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-89540182022-03-26 Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective Jakhar, Mukesh Kumar, Ashok Ahluwalia, Pradeep K. Tankeshwar, Kumar Pandey, Ravindra Materials (Basel) Review Splitting of water with the help of photocatalysts has gained a strong interest in the scientific community for producing clean energy, thus requiring novel semiconductor materials to achieve high-yield hydrogen production. The emergence of 2D nanoscale materials with remarkable electronic and optical properties has received much attention in this field. Owing to the recent developments in high-end computation and advanced electronic structure theories, first principles studies offer powerful tools to screen photocatalytic systems reliably and efficiently. This review is organized to highlight the essential properties of 2D photocatalysts and the recent advances in the theoretical engineering of 2D materials for the improvement in photocatalytic overall water-splitting. The advancement in the strategies including (i) single-atom catalysts, (ii) defect engineering, (iii) strain engineering, (iv) Janus structures, (v) type-II heterostructures (vi) Z-scheme heterostructures (vii) multilayer configurations (viii) edge-modification in nanoribbons and (ix) the effect of pH in overall water-splitting are summarized to improve the existing problems for a photocatalytic catalytic reaction such as overcoming large overpotential to trigger the water-splitting reactions without using cocatalysts. This review could serve as a bridge between theoretical and experimental research on next-generation 2D photocatalysts. MDPI 2022-03-17 /pmc/articles/PMC8954018/ /pubmed/35329672 http://dx.doi.org/10.3390/ma15062221 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Review Jakhar, Mukesh Kumar, Ashok Ahluwalia, Pradeep K. Tankeshwar, Kumar Pandey, Ravindra Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title | Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title_full | Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title_fullStr | Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title_full_unstemmed | Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title_short | Engineering 2D Materials for Photocatalytic Water-Splitting from a Theoretical Perspective |
title_sort | engineering 2d materials for photocatalytic water-splitting from a theoretical perspective |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8954018/ https://www.ncbi.nlm.nih.gov/pubmed/35329672 http://dx.doi.org/10.3390/ma15062221 |
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