Project supported by the National Natural Science Foundation of China (Grant Nos. 10904004,10604010,60776063,50471070 and 50644041)
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes of the hydrogen molecule on the Mg(0001) surface. It is found that during the dissociative adsorp...
The authors gratefully acknowledge the funding for this from the National Natural Science Foundation of China (No. 50471070) and the Project Sponsored by Scientific Research Foundation for the Returned Overseas Shartxi Province of China (No. 2006-32).