TY - JOUR
T1 - Coadsorption of CO and O over strained metal surfaces
AU - Liu, Fuzhu
AU - Xue, Tiantian
AU - Wu, Chao
AU - Yang, Shengchun
N1 - Publisher Copyright:
© 2019
PY - 2019/5
Y1 - 2019/5
N2 - Coadsorption of CO and O over five metal (1 1 1) surfaces under strain has been computationally investigated, which is relevant to key catalytic processes like CO oxidation. Strain sensitive/insensitive metals with respect to O and CO adsorptions are identified. For strain sensitive metals like Pd and Pt, the effects of strain and coadsorbates can be utilized to tune their catalytic performance, providing a new perspective on solving the problems of CO poisoning. For strain insensitive metals like Rh, Ir, and Cu, both effects are much weaker. Overall, the synergistic effect of coadsorbates and strain should be further investigated for catalyst design.
AB - Coadsorption of CO and O over five metal (1 1 1) surfaces under strain has been computationally investigated, which is relevant to key catalytic processes like CO oxidation. Strain sensitive/insensitive metals with respect to O and CO adsorptions are identified. For strain sensitive metals like Pd and Pt, the effects of strain and coadsorbates can be utilized to tune their catalytic performance, providing a new perspective on solving the problems of CO poisoning. For strain insensitive metals like Rh, Ir, and Cu, both effects are much weaker. Overall, the synergistic effect of coadsorbates and strain should be further investigated for catalyst design.
UR - https://www.scopus.com/pages/publications/85062520412
U2 - 10.1016/j.cplett.2019.03.010
DO - 10.1016/j.cplett.2019.03.010
M3 - 文章
AN - SCOPUS:85062520412
SN - 0009-2614
VL - 722
SP - 18
EP - 25
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -