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Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04628-6
Abstract: In this paper, the reaction process of N 2 convert to NH 3 catalyzed by Ag (111) surface was obtained through the construction of Ag (111) surface and computational simulation. The charge transfer in the…
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Keywords:
nitrogen ammonia;
surface ambient;
surface;
electrolysis nitrogen ... See more keywords