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)
Hydrogenation of unsaturated organosulfur compounds is an essential process through which these species are converted into cleaner and more useful compounds. Hydrogen bronze materials have been demonstrated to be efficient catalysts in hydrogenation of simple unsaturated compounds. Herein, we performed density functional theory calculations to investigate(More)
Developing rewritable papers has gathered immense interest in recent times in view of developing sustainability in print media without exhausting environmental resources. We herein present a rapid and facile procedure for the fabrication of a communication medium by treating the surface of a paper with synthetic organic molecules, after which plain water(More)
Qingfan Zhang, Enoch Tang, Yongjie Xi, Bo Han, Nicole Legenski, Guadalupe Chalas, Frankie Chan, Hansong Cheng, and Robert C. Forrey Department of Chemistry, National University of Singapore, 3 Science Drive, Singapore 117543, Singapore Sustainable Energy Laboratory, China University of Geosciences, Wuhan, 430074, People’s Republic of China Department of(More)
Tungsten carbide has been proposed to be a potential inexpensive alternative to platinum for catalyzing hydrogenation reactions. Using density functional theory (DFT) calculations, we performed a systematic study on the geometries and electronic structures of small (WC)n (n 1⁄4 1–10) clusters. A cubic-like growth of WC clusters was found to be the preferred(More)
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