Yongjie Xi

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Graphene-based solid-state catalysis represents a new direction in applications of graphene and has attracted a lot of interests recently. However, the difficulty in fine control and large-scale production of previously proposed graphene catalysts greatly limits their industrial applications. Here we present a novel way to enhance the catalytic activity of(More)
An analytic potential energy function is developed for simulating clusters and nanoparticles of aluminum and its hydride. An embedded atom method is used which modulates the background electron density as a function of the number of nearest neighbor atoms. The method is parameterized and tested using an extensive training set computed from first principles(More)
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