Characterization of the titania nitridation reaction by time resolved in situ X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and near-edge X-ray adsorption fine structure (NEXAFS)

Haiyan Chen, Akira Nambu, Wen Wen, Jesus Graciani, Jonathan C. Hanson, Etsuko Fujita, José A. Rodriguez

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Nitrogen-doped titania has been demonstrated to be a promising photocatalyst in the effective chemical utilization of solar energy. For the synthesis of this photocatalyst, thermal nitridation of titania by ammonia has been frequently used. Our detailed investigation of this nitridation reaction by time-resolved in-situ XRD revealed a smooth transition from the anatase or rutile phase to a cubic TiN phase and incorporation of nitrogen into the interstitial sites of titania. Ex-situ characterizations of the synthesized nitrogen-doped titania using XPS and NEXAFS support the interstitial incorporation mechanism, while the substitution mechanism cannot completely be excluded. A comprehensive analysis of the data suggests that the incorporated nitrogen may form N2-like species embedded in the titania lattice, which is in agreement with the instability of the incorporated nitrogen atoms found by DFT calculations. The research carried out at Brookhaven National Laboratory was supported under contract DE-AC02-98CH10886 with the U.S. Department of Energy.

Original languageEnglish
Title of host publicationACS National Meeting Book of Abstracts
Publication statusPublished - 2007
Event234th ACS National Meeting - Boston, MA, United States
Duration: Aug 19 2007Aug 23 2007

Other

Other234th ACS National Meeting
CountryUnited States
CityBoston, MA
Period8/19/078/23/07

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Nitridation
X ray photoelectron spectroscopy
Adsorption
X ray diffraction
X rays
Nitrogen
Photocatalysts
titanium dioxide
Ammonia
Discrete Fourier transforms
Solar energy
Substitution reactions
Atoms

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Characterization of the titania nitridation reaction by time resolved in situ X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and near-edge X-ray adsorption fine structure (NEXAFS). / Chen, Haiyan; Nambu, Akira; Wen, Wen; Graciani, Jesus; Hanson, Jonathan C.; Fujita, Etsuko; Rodriguez, José A.

ACS National Meeting Book of Abstracts. 2007.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Chen, H, Nambu, A, Wen, W, Graciani, J, Hanson, JC, Fujita, E & Rodriguez, JA 2007, Characterization of the titania nitridation reaction by time resolved in situ X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and near-edge X-ray adsorption fine structure (NEXAFS). in ACS National Meeting Book of Abstracts. 234th ACS National Meeting, Boston, MA, United States, 8/19/07.
Chen, Haiyan ; Nambu, Akira ; Wen, Wen ; Graciani, Jesus ; Hanson, Jonathan C. ; Fujita, Etsuko ; Rodriguez, José A. / Characterization of the titania nitridation reaction by time resolved in situ X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and near-edge X-ray adsorption fine structure (NEXAFS). ACS National Meeting Book of Abstracts. 2007.
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abstract = "Nitrogen-doped titania has been demonstrated to be a promising photocatalyst in the effective chemical utilization of solar energy. For the synthesis of this photocatalyst, thermal nitridation of titania by ammonia has been frequently used. Our detailed investigation of this nitridation reaction by time-resolved in-situ XRD revealed a smooth transition from the anatase or rutile phase to a cubic TiN phase and incorporation of nitrogen into the interstitial sites of titania. Ex-situ characterizations of the synthesized nitrogen-doped titania using XPS and NEXAFS support the interstitial incorporation mechanism, while the substitution mechanism cannot completely be excluded. A comprehensive analysis of the data suggests that the incorporated nitrogen may form N2-like species embedded in the titania lattice, which is in agreement with the instability of the incorporated nitrogen atoms found by DFT calculations. The research carried out at Brookhaven National Laboratory was supported under contract DE-AC02-98CH10886 with the U.S. Department of Energy.",
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AU - Chen, Haiyan

AU - Nambu, Akira

AU - Wen, Wen

AU - Graciani, Jesus

AU - Hanson, Jonathan C.

AU - Fujita, Etsuko

AU - Rodriguez, José A.

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N2 - Nitrogen-doped titania has been demonstrated to be a promising photocatalyst in the effective chemical utilization of solar energy. For the synthesis of this photocatalyst, thermal nitridation of titania by ammonia has been frequently used. Our detailed investigation of this nitridation reaction by time-resolved in-situ XRD revealed a smooth transition from the anatase or rutile phase to a cubic TiN phase and incorporation of nitrogen into the interstitial sites of titania. Ex-situ characterizations of the synthesized nitrogen-doped titania using XPS and NEXAFS support the interstitial incorporation mechanism, while the substitution mechanism cannot completely be excluded. A comprehensive analysis of the data suggests that the incorporated nitrogen may form N2-like species embedded in the titania lattice, which is in agreement with the instability of the incorporated nitrogen atoms found by DFT calculations. The research carried out at Brookhaven National Laboratory was supported under contract DE-AC02-98CH10886 with the U.S. Department of Energy.

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