• PREETI DAGAR

Articles written in Bulletin of Materials Science

• Synthesis of Chevrel phase (Cu$_{1.8}$Mo$_6$S$_8$) in composite with molybdenum carbide for hydrogen evolution reactions

Sustainable hydrogen generation from water electrolysis using renewable energy sources is the most promising pathway for future energy and hydrogen economy. Here, the Chevrel phase (Cu$_{1.8}$Mo$_6$S$_8$) was synthesized in composite with Mo$_2$C and good hydrogen evolution activity in acidic media has been demonstrated. Bundles of nanowires were formed in the templated synthesis route. The composites were characterized by X-ray diffraction, transmission electron microscopy, scanning electron microscopy and elemental analysis. Detailed electrochemical analysis reveals that MCS-Cu50 compositeexhibits higher hydrogen evolution reaction (HER) activity with 71.4 mA cm$^{−2}$ current density at an overpotential of 400 mV. It requires 250 mV overpotential to produce 10 mA cm$^{−2}$ current density for HER.

• Enhanced hydrogen evolution reactivity on Mo$_2$C–Mo$_2$N composites

We have studied the electrolysis of water, by performing a combined experimental and theoretical study of the hydrogen evolution reaction (HER) capability of Mo$_2$C–Mo$_2$N composites. Experimentally, we have synthesized nanowires with varying Mo$_2$C:Mo$_2$N ratios. We have found that the composites show good HER activity in an acidic medium, that is superior to that of either pristine Mo$_2$C or Mo$_2$N. 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 toaccurately reproduce the experimentally observed structural transition from an orthorhombic to tetragonal phase as $x$, the N concentration in Mo$_2$C$_{1-x}$N$_x$, is increased. By computing Gibbs free energy for H adsorption on Mo$_2$C$_{1-x}$N$_x$ surfaces, our calculations confirm the experimental finding that mixed systems have superior HER activity to pristine systems, withN-rich systems being most active.

• # Bulletin of Materials Science

Volume 44, 2021
All articles
Continuous Article Publishing mode

• # Dr Shanti Swarup Bhatnagar for Science and Technology

Posted on October 12, 2020

Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020

Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020

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Posted on July 25, 2019

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