A Chemically Accurate Potential Energy Surface for Dissociative Chemisorption of Methane on Ni(111)

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  The dissociation of methane on metal surface has become one of the most studied gas-surface reactions due to its industrial significance.In the present work,we developed a chemically accurate,fifteen-dimensional potential energy surface(PES)for CH4 on rigid Ni(111)surface with the(permutation invariant polynomial-neural network(PIP-NN)approach[1] based on the recently proposed SRP functional.
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