Tuning the Catalytic Activity of PdxNiy (x + y = 6) Bimetallic Clusters for Hydrogen Dissociative Chemisorption and Desorption
Density functional theory was used to study dissociative chemisorption and desorption on
Pd x Ni y (x+ y= 6) bimetallic clusters. The H2 dissociative chemisorption energies and the H …
Pd x Ni y (x+ y= 6) bimetallic clusters. The H2 dissociative chemisorption energies and the H …
Structural, electronic and magnetic properties of NM-doped Ni clusters (NM= Cu, Ag, Au)
W Song, Z Fu, J Wang, W Zhang - Journal of Molecular Structure, 2019 - Elsevier
The lowest-energy structures of the noble metal atoms (NM= Cu, Ag, Au) doped into medium-
scale Ni n (n= 19–23) are obtained at the DFT-PBE level. The relative stability, electronic …
scale Ni n (n= 19–23) are obtained at the DFT-PBE level. The relative stability, electronic …
[PDF][PDF] Synergistic Effect of FeNi Bimetallic Clusters for the Catalytic of Hydrogen Dissociation and Desorption: A Density Functional Theory Study
FEI WU, H LI, C CHENG, HAO ZHANG, S FEI - revistadechimie.ro
Cognition to the metal-metal interactions is of vital importance for the catalytic process and
would help exploring novel catalysts. In the present study, the model system of FexNiy (x+ y …
would help exploring novel catalysts. In the present study, the model system of FexNiy (x+ y …
First-principles studies on the doping effect of Nin− 1TM (n= 13, 19, 55)
W Song, T Kuang, Z Fu, J Wang, W Zhang… - … and Theoretical Chemistry, 2019 - Elsevier
The structural and electronic properties of different transition-metal atoms (TM= Cr, Mn, Fe,
Co, Cu, Zn, Pd, Ag, Pt, Au) doped into Ni n neutral and ionic clusters (n= 13, 19, 55) were …
Co, Cu, Zn, Pd, Ag, Pt, Au) doped into Ni n neutral and ionic clusters (n= 13, 19, 55) were …