Journal article

Theoretical insights into the surface growth of rutile TiO2

Abstract:: Adsorption of TiCl 4 molecules on the reduced [110] surface of TiO 2 is investigated using density functional theory with plane wave basis sets and pseudo-potentials. Adsorption energies and barriers are calculated and discussed. The rate of this adsorption process is calculated using transition state theory with estimated vibrational frequencies. Derived activation energies for TiCl 4 adsorption are associated with signi...
Expand abstract
Collapse abstract

Publication status:: Published

Actions

Email

Email this record

Send the bibliographic details of this record to your email address.

Your Email
Please enter the email address that the record information will be sent to.

-
Your message (optional)
Please add any additional information to be included within the email.
Cite

Cite this record

APA Style

Shirley, R., Akroyd, J., Miller, L., Inderwildi, O., Riedel, U., & Kraft, M. (2011). Theoretical insights into the surface growth of rutile TiO2. COMBUSTION AND FLAME, 158(10), 1868–1876.

MLA Style

Shirley, R., et al. “Theoretical Insights into the Surface Growth of Rutile TiO2.” COMBUSTION AND FLAME, vol. 158, no. 10, 2011, pp. 1868–76.

Chicago Style

Shirley, R, J Akroyd, L Miller, O Inderwildi, U Riedel, and M Kraft. 2011. “Theoretical Insights into the Surface Growth of Rutile TiO2.” COMBUSTION AND FLAME 158 (10): 1868–76.
Tweet
Print

Access Document

Publisher copy:: 10.1016/j.combustflame.2011.06.007

Authors

+ Shirley, R More by this author

Role:

Author

+ Akroyd, J More by this author

Role:

Author

+ Miller, L More by this author

Role:

Author

+ Inderwildi, O More by this author

Institution:

University of Oxford

Division:

MPLS

Department:

Chemistry

Role:

Author

+ Riedel, U More by this author

Role:

Author

More authors...

Bibliographic Details

Journal:: COMBUSTION AND FLAME More from this journal
Volume:: 158
Issue:: 10
Pages:: 1868-1876
Publication date:: 2011-10-01
DOI:: 10.1016/j.combustflame.2011.06.007
EISSN:: 1556-2921
ISSN:: 0010-2180

Item Description

Language:: English
Keywords:: Surface growth

Titanium dioxide

Titanium tetrachloride
Pubs id:: pubs:305360
UUID:: uuid:9314047e-fe12-4ca0-b98d-79a517cb736f
Local pid:: pubs:305360
Source identifiers:: 305360
Deposit date:: 2013-11-17

Terms of use

Copyright date:: 2011

Licence:: Terms and Conditions of Use for Oxford University Research Archive

Metrics

Views and Downloads

About views and downloads

If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP