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
Ask for advice (Computational Research of CO oxidation in Au/CeO2 catalyst by using VASP)
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fendy
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Ask for advice (Computational Research of CO oxidation in Au/CeO2 catalyst by using VASP)
Last edited by fendy on Fri Dec 25, 2009 8:03 am, edited 1 time in total.
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support_vasp
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Re: Ask for advice (Computational Research of CO oxidation in Au/CeO2 catalyst by using VASP)
Hi,
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