Dear Graeme,
Thank You for the reply.
But since my model is Pd-Ru surface (slab) model that imitate the nanoparticle surface, the electronegativity rule seem didn't applied. The experimentalist reported that Pd should donate the electron to Ru, not Ru to Pd. This what made me confused. I am not ...
Search found 2 matches
- Wed Dec 17, 2014 9:29 am
- Forum: Bader
- Topic: Opposite charges trend as experiment for PdRu Surface Model
- Replies: 2
- Views: 14403
- Tue Dec 16, 2014 4:57 am
- Forum: Bader
- Topic: Opposite charges trend as experiment for PdRu Surface Model
- Replies: 2
- Views: 14403
Opposite charges trend as experiment for PdRu Surface Model
Hi there!!
I am calculating charges for Pd-Ru Surface Model but unfortunately I managed to get opposite trend as experiment, Pd will donate electron to Ru. I did as instructed in bader website but still, no luck.
I hope you guys here will help me to figure out what was my problem.
this is my ...
I am calculating charges for Pd-Ru Surface Model but unfortunately I managed to get opposite trend as experiment, Pd will donate electron to Ru. I did as instructed in bader website but still, no luck.
I hope you guys here will help me to figure out what was my problem.
this is my ...