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Dear everyone

I'm a newbee in using VASP

My name is Fendy and I'm doing research on CO oxidation in Au/CeO2 catalyst by using VASP. Briefly,,I'm trying to find the mechanism of CO oxidation with the above system. So a cluster of 4 gold atom on the surface of CeO2 will adsorb CO,,,meanwhile one of the Cerium atom (the nearest neighbor atom) will adsorb O2..

I would like to ask several question regarding my research

1..Could someone suggest me any good reference paper that dealing with similar topic with me???

2..I have started the simulation using VASP and I read from several thread,,many people in this forum suggest to use VMD to simulate the trajectories...I found difficulties when I want to draw the bond of CO with O (forming CO2) that in the initial value did not have a bond with O atom.. How about Jmol??? What is the advantage using Jmol???

Thanks so much for everyone that has read this thread and give a reply

GBU

Hi,

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