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Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta)
The anodic catalytic capability of PrFeO(3−δ) is restricted by the Fe-site element type in the perovskite material structure due to its low electrical conductivity of electrons. Here, we present a strategy for tuning the Fe-site element type via Sr and VB subgroup metals (V, Nb, Ta) co-doping to enh...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520790/ https://www.ncbi.nlm.nih.gov/pubmed/37766935 http://dx.doi.org/10.1039/d3ra05026b |
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author | Chen, Hongfei Lü, Zhe Liu, Zhipeng Wu, Yujie Wang, Shuai Wang, Zhihong |
author_facet | Chen, Hongfei Lü, Zhe Liu, Zhipeng Wu, Yujie Wang, Shuai Wang, Zhihong |
author_sort | Chen, Hongfei |
collection | PubMed |
description | The anodic catalytic capability of PrFeO(3−δ) is restricted by the Fe-site element type in the perovskite material structure due to its low electrical conductivity of electrons. Here, we present a strategy for tuning the Fe-site element type via Sr and VB subgroup metals (V, Nb, Ta) co-doping to enhance the anodic catalytic performance of PrFeO(3−δ) anode materials. Our calculations show that Sr and Nb co-doping has suitable hydrogen adsorption energy for PrFeO(3−δ) anode materials, and its adsorption energy is adjusted to −0.717 eV, which is more suitable to absorb the hydrogen molecule than other high-profile perovskite anode materials. Meanwhile, after the doped surface is adsorbed by hydrogen molecules, the bond length lengthens until it breaks, and one of the broken hydrogen atoms moves directly above the surface oxygen atom, which is beneficial for accelerating the anodic catalytic reaction. Thus, the Pr(0.5)Sr(0.5)Fe(0.875)Nb(0.125)O(3−δ) material is a promising perovskite anode catalyst. Interestingly, the stability of PrFeO(3−δ) is significantly affected by the oxygen vacancy content; the structural stability of the undoped system can be maintained via Sr and Nb co-doping to avoid decomposition, which provides new thinking to maintain the high stability of perovskite ferrite materials. Furthermore, we find that relative to the PrFeO(3−δ), the Pr(0.5)Sr(0.5)Fe(0.875)Nb(0.125)O(3−δ) surface of hydrogen adsorption has obvious charge transfer and upward shift of the d-band center. Our anodic catalytic theoretical work shows that Sr and Nb co-doping can effectively enhance the catalytic performance of the PrFeO(3−δ) ferrite materials. |
format | Online Article Text |
id | pubmed-10520790 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-105207902023-09-27 Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) Chen, Hongfei Lü, Zhe Liu, Zhipeng Wu, Yujie Wang, Shuai Wang, Zhihong RSC Adv Chemistry The anodic catalytic capability of PrFeO(3−δ) is restricted by the Fe-site element type in the perovskite material structure due to its low electrical conductivity of electrons. Here, we present a strategy for tuning the Fe-site element type via Sr and VB subgroup metals (V, Nb, Ta) co-doping to enhance the anodic catalytic performance of PrFeO(3−δ) anode materials. Our calculations show that Sr and Nb co-doping has suitable hydrogen adsorption energy for PrFeO(3−δ) anode materials, and its adsorption energy is adjusted to −0.717 eV, which is more suitable to absorb the hydrogen molecule than other high-profile perovskite anode materials. Meanwhile, after the doped surface is adsorbed by hydrogen molecules, the bond length lengthens until it breaks, and one of the broken hydrogen atoms moves directly above the surface oxygen atom, which is beneficial for accelerating the anodic catalytic reaction. Thus, the Pr(0.5)Sr(0.5)Fe(0.875)Nb(0.125)O(3−δ) material is a promising perovskite anode catalyst. Interestingly, the stability of PrFeO(3−δ) is significantly affected by the oxygen vacancy content; the structural stability of the undoped system can be maintained via Sr and Nb co-doping to avoid decomposition, which provides new thinking to maintain the high stability of perovskite ferrite materials. Furthermore, we find that relative to the PrFeO(3−δ), the Pr(0.5)Sr(0.5)Fe(0.875)Nb(0.125)O(3−δ) surface of hydrogen adsorption has obvious charge transfer and upward shift of the d-band center. Our anodic catalytic theoretical work shows that Sr and Nb co-doping can effectively enhance the catalytic performance of the PrFeO(3−δ) ferrite materials. The Royal Society of Chemistry 2023-09-26 /pmc/articles/PMC10520790/ /pubmed/37766935 http://dx.doi.org/10.1039/d3ra05026b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Chen, Hongfei Lü, Zhe Liu, Zhipeng Wu, Yujie Wang, Shuai Wang, Zhihong Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title | Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title_full | Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title_fullStr | Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title_full_unstemmed | Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title_short | Enhanced anodic catalytic performance in PrFeO(3−δ) of perovskite materials via Co-doping with Sr and VB subgroup metals (V, Nb, Ta) |
title_sort | enhanced anodic catalytic performance in prfeo(3−δ) of perovskite materials via co-doping with sr and vb subgroup metals (v, nb, ta) |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520790/ https://www.ncbi.nlm.nih.gov/pubmed/37766935 http://dx.doi.org/10.1039/d3ra05026b |
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