Supporting information for "Dodecahedral W@WC composite as efficient catalyst for hydrogen evolution and Nitrobenzene reduction reactions"

This file is the supporting information for the paper CHEN, Z-Y. ...et al., 2017. Dodecahedral W@WC composite as efficient catalyst for hydrogen evolution and Nitrobenzene reduction reactions. ACS Applied Materials and Interfaces. (https://doi.org/10.1021/acsami.7b04419).<div><br></div><div>Abstract:</div><div> </div><div><div>Core-shell composites with strong phase-phase contact could provide an incentive for</div><div> catalytic activity. A simple yet efficient H2O-mediated method has been developed to</div><div> synthesize mesoscopic core-shell W@WC architecture with dodecahedral microstructure, via one-pot reaction. The H2O plays an important role in the resistance of carbon diffusion, resulting in the formation of the W core and W-terminated WC shell. Density functional theory (DFT) calculations reveal that adding W as core reduced the oxygen adsorption energy and provided the W-terminated WC surface. The W@WC exhibits significant electrocatalytic activities towards hydrogen evolution and nitrobenzene electro-reduction reactions, which are comparable to those found for commercial Pt/C, and substantially higher than those found for meso- and nano- WC materials. The experimental results were explained by DFT calculations based on the energy profiles in the hydrogen evolution reactions over WC, W@WC and Pt model surfaces. The W@WC also shows a high thermal stability and thus may serve as a promising more economical alternative to Pt catalysts in these important energy conversion and environmental protection applications. The current approach can also be extended or</div><div> adapted to various metals and carbides, allowing for the design and fabrication of a wide range of catalytic and other multifunctional composites.</div></div>