DFT study of the water gas shift reaction on Ni(111), Ni(100) and Ni(110) surfaces

2015/09/21 by Abas Mohsenzadeh, Tobias Richards, Kim Bolton
Materials Science · Chemical Engineering · Physics and Astronomy · #Catalytic Processes in Materials Science #Ammonia Synthesis and Nitrogen Reduction #Advanced Chemical Physics Studies

paper · doi:10.1016/j.susc.2015.09.014

Citations

• A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
• DFT study of the adsorption and dissociation of water on Ni(111), Ni(110) and Ni(100) surfaces