2017 Annual Meeting

(582az) First-Principles Studies of CO Oxidation on MgAl2O4 supported Iridium Single Atoms

Authors

Jiamin Wang - Presenter, Virginia Polytechnic Institute and State University
Yubing Lu, Virginia Polytechnic Institute and State University
Ayman M. Karim, Virginia Polytechnic Institute and State University
Hongliang Xin, Virginia Tech
Single atom catalysts (SACs) can maximize the efficiency of metal atom. Previously, a number of supported noble metals (e.g., Pt, Au) have been identified as active SACs for CO oxidation [1]. In this poster, we will discuss our recent studies of CO oxidation on supported Ir single atoms using density-functional theory (DFT) calculations and in-situ/operando experimental measurements.

[1] Liang, Jin-Xia, Jian Lin, Xiao-Feng Yang, Ai-Qin Wang, Bo-Tao Qiao, Jingyue Liu, Tao Zhang, and Jun Li. The Journal of Physical Chemistry C 118, no. 38 (September 25, 2014): 21945–51. doi:10.1021/jp503769d.