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Lee, Hosik
Computational Advanced Nanomechanics Lab
Research Interests
  • Band-Structure analysis by DFT
  • Condesed Matter Physics

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Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides

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Title
Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides
Author
Lee, HosikOhno, Takahisa
Issue Date
2013-03
Publisher
ELSEVIER SCIENCE BV
Citation
CHEMICAL PHYSICS, v.415, pp.156
Abstract
For better efficiency as photocatalysts, N-doping for visible light reactivity has been intensively studied in Lamellar niobic and titanic solid acids (HNb3O8, H2Ti4O9), and its microscopic structures have been debated in this decade. We calculate the layered solid acids' structures and bandgaps. Bandgap reduction by carbon nitride adsorption in interlayer space is observed computationally. It originates from localized nitrogen states which form delocalized top-valence states by hybridizing with the host oxygen states and can contribute to photo-current.
URI
https://scholarworks.unist.ac.kr/handle/201301/3485
URL
http://apps.webofknowledge.com.eproxy.pusan.ac.kr/full_record.do?product=WOS&search_mode=GeneralSearch&qid=29&SID=W11PkNxiNbSv6S6SAA2&page=1&doc=1
DOI
10.1016/j.chemphys.2013.01.006
ISSN
0301-0104
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ECHE_Journal Papers
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