Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2

Abstract A dramatic band gap narrowing of 1.61 eV has been observed in Co-doped nanocrystals of CeO2 (ceria), as a result of thermal annealing, without changing the ceria crystal structure and the Co concentration. As demonstrated by x-ray absorption fine structures, thermal annealing incurs an oxyg...

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Autores principales:	T. S. Wu, Y. W. Chen, S. C. Weng, C. N. Lin, C. H. Lai, Y. J. Huang, H. T. Jeng, S. L. Chang, Y. L. Soo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f78f5ddef62e4e64a66f778b3efa9c62
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spelling	oai:doaj.org-article:f78f5ddef62e4e64a66f778b3efa9c622021-12-02T11:52:37ZDramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO210.1038/s41598-017-05046-02045-2322https://doaj.org/article/f78f5ddef62e4e64a66f778b3efa9c622017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05046-0https://doaj.org/toc/2045-2322Abstract A dramatic band gap narrowing of 1.61 eV has been observed in Co-doped nanocrystals of CeO2 (ceria), as a result of thermal annealing, without changing the ceria crystal structure and the Co concentration. As demonstrated by x-ray absorption fine structures, thermal annealing incurs an oxygen coordination rearrangement around Co atoms from an octahedral coordination to a square-planar coordination. First principle calculation using density functional theory reveals two stable oxygen coordination types surrounding Co, consistent with the experimental observation. The band gap values calculated for the two stable coordination types differ dramatically, reproducing the experimentally observed band gap narrowing. These prominent effects due to local structure rearrangement around dopant atoms can lead to unprecedented methods for band gap engineering in doped nanocrystal oxides.T. S. WuY. W. ChenS. C. WengC. N. LinC. H. LaiY. J. HuangH. T. JengS. L. ChangY. L. SooNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q T. S. Wu Y. W. Chen S. C. Weng C. N. Lin C. H. Lai Y. J. Huang H. T. Jeng S. L. Chang Y. L. Soo Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
description	Abstract A dramatic band gap narrowing of 1.61 eV has been observed in Co-doped nanocrystals of CeO2 (ceria), as a result of thermal annealing, without changing the ceria crystal structure and the Co concentration. As demonstrated by x-ray absorption fine structures, thermal annealing incurs an oxygen coordination rearrangement around Co atoms from an octahedral coordination to a square-planar coordination. First principle calculation using density functional theory reveals two stable oxygen coordination types surrounding Co, consistent with the experimental observation. The band gap values calculated for the two stable coordination types differ dramatically, reproducing the experimentally observed band gap narrowing. These prominent effects due to local structure rearrangement around dopant atoms can lead to unprecedented methods for band gap engineering in doped nanocrystal oxides.
format	article
author	T. S. Wu Y. W. Chen S. C. Weng C. N. Lin C. H. Lai Y. J. Huang H. T. Jeng S. L. Chang Y. L. Soo
author_facet	T. S. Wu Y. W. Chen S. C. Weng C. N. Lin C. H. Lai Y. J. Huang H. T. Jeng S. L. Chang Y. L. Soo
author_sort	T. S. Wu
title	Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
title_short	Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
title_full	Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
title_fullStr	Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
title_full_unstemmed	Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2
title_sort	dramatic band gap reduction incurred by dopant coordination rearrangement in co-doped nanocrystals of ceo2
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/f78f5ddef62e4e64a66f778b3efa9c62
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Dramatic band gap reduction incurred by dopant coordination rearrangement in Co-doped nanocrystals of CeO2

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