Diffusion of CO <inf>2</inf> on the rutile TiO <inf>2</inf>(110) surface

Lee, J and Sorescu, DC and Deng, X and Jordan, KD (2011) Diffusion of CO <inf>2</inf> on the rutile TiO <inf>2</inf>(110) surface. Journal of Physical Chemistry Letters, 2 (24). 3114 - 3117.

Plain Text (licence) Available under License : See the attached license file. Download (1kB)

Abstract

The diffusion of CO 2 molecules on a reduced rutile TiO 2(110)-(1×1) surface has been investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM feature associated with a CO 2 molecule at an oxygen vacancy (VO) becomes increasingly streaky with increasing temperature, indicating thermally activated CO 2 diffusion from the VO site. From temperaturedependent tunneling current measurements, the barrier for diffusion of CO 2 from the VO site is estimated to be 3.31 ± 0.23 kcal/mol. The corresponding value from the DFT calculations is 3.80 kcal/mol. In addition, the DFT calculations give a barrier for diffusion of CO 2 along Ti rows of only 1.33 kcal/mol. © 2011 American Chemical Society.

---

Share

Citation/Export:	Select format... Citation - Text Citation - HTML Endnote BibTex Dublin Core OpenURL MARC (ISO 2709) METS MODS EP3 XML Reference Manager Refer
Social Networking:	Share |

---

Details

Item Type:	Article
Status:	Published
Creators/Authors:	Creators Email Pitt Username ORCID Lee, J Sorescu, DC Deng, X Jordan, KD jordan@pitt.edu JORDAN
Date:	15 December 2011
Date Type:	Publication
Journal or Publication Title:	Journal of Physical Chemistry Letters
Volume:	2
Number:	24
Page Range:	3114 - 3117
DOI or Unique Handle:	10.1021/jz201339n
Schools and Programs:	Dietrich School of Arts and Sciences > Chemistry
Refereed:	Yes
Date Deposited:	30 Apr 2013 20:45
Last Modified:	13 Jun 2021 01:55
URI:	http://d-scholarship-dev.library.pitt.edu/id/eprint/18576

---

Metrics

Monthly Views for the past 3 years

Plum Analytics

Altmetric.com

---

Actions (login required)

View Item