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- W3201424059 abstract "We have studied the electrolysis of water, by performing a combined experimental and theoretical study of the hydrogen evolution reaction (HER) capability of Mo2C–Mo2N composites. Experimentally, we have synthesized nanowires with varying Mo2C:Mo2N ratios. We have found that the composites show good HER activity in an acidic medium, that is superior to that of either pristine Mo2C or Mo2N. These experimental results are supported by ab initio density functional theory calculations. Interestingly, we find that it is vital to incorporate van der Waals corrections to accurately reproduce the experimentally observed structural transition from an orthorhombic to tetragonal phase as x, the N concentration in Mo2C1−xNx, is increased. By computing Gibbs free energy for H adsorption on Mo2C1−xNx surfaces, our calculations confirm the experimental finding that mixed systems have superior HER activity to pristine systems, with N-rich systems being most active." @default.
- W3201424059 created "2021-09-27" @default.
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- W3201424059 date "2020-01-01" @default.
- W3201424059 modified "2023-09-23" @default.
- W3201424059 title "Enhanced hydrogen evolution reactivity on Mo 2 C–Mo 2 N composites" @default.
- W3201424059 hasPublicationYear "2020" @default.
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