[HTML][HTML] First-principles study of Mo segregation in MoNi (111): effects of chemisorbed atomic oxygen

Y Yu, W Xiao, J Wang, L Wang - Materials, 2015 - mdpi.com
Segregation at metal alloy surfaces is an important issue because many electrochemical
and catalytic properties are directly correlated to the surface composition. We have …

Density functional theory study of Ni segregation in CuNi (111) alloy with chemisorbed CO, O, or H

Y Yu, Z Liu, W Huang, S Zhou, Z Hu, L Wang - Journal of Physics and …, 2022 - Elsevier
Adsorption-induced surface segregation can affect the electrochemical and catalytic
properties of metal alloys. We have used density functional theory to study the Ni …

Change of cobalt magnetic anisotropy and spin polarization with alkanethiolates self-assembled monolayers

P Campiglio, R Breitwieser, V Repain… - New Journal of …, 2015 - iopscience.iop.org
We demonstrate that the deposition of a self-assembled monolayer of alkanethiolates on a 1
nm thick cobalt ultrathin film grown on Au (111) induces a spin reorientation transition from …