Doping induced mixed polytypic interfaces of MoS2 for superior electrocatalytic hydrogen evolution

Shaikh, Naznin; Annadata, Harshini V.; Mishra, Atul K.; Urkude, Rajashri R.; Mukhopadhyay, Indrajit; Ray, Abhijit

doi:10.1016/j.apsusc.2023.159195

Cited by 4 publications

(2 citation statements)

References 53 publications

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“…The interaction of hydrogen (H) with metal surfaces plays an important role in different applications such as in fuel cell electrodes, H separation and permeation membranes, and hydrogenation and dehydrogenation of various compounds on metal surfaces, among others. Furthermore, with H as the simplest atom in the periodic table, studying H-material systems has become a benchmark in elucidating the properties of materials and establishing insights that will govern gas and materials interactions and their applications [1][2][3][4][5]. In particular, for H separation and permeation membranes, palladium (Pd) is among the utilized metals due to its good H selectivity, high H permeability, and ability to dissociate H 2 [6][7][8].…”

Section: Introductionmentioning

confidence: 99%

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The tendency of V segregation in Pd/V(110) and Pd/V(100) surfaces induced by H adsorption

Palmero,

Shimizu,

Nakanishi

et al. 2024

Phys. Scr.

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This study employs density functional theory-based calculations to investigate the tendency of V atom segregation in Pd/V(100) and Pd/V(110) surfaces upon adsorption of H at varying coverage (0.25, 0.50, 0.75, and 1.0 ML). Geometric, energetic, and electronic structure analyses were performed to elucidate the stability of H on the surfaces, the V atoms segregation tendency, and the interactions of atoms in the systems. By calculating the relative energies, we found that Pd atoms will favor residing in the topmost layer of pristine Pd/V. Segregation of V atom in pristine Pd/V(100) is more endothermic than in Pd/V(110). For H-Pd/V systems, a tendency of V segregation was observed for 0.50-1.0 ML H coverage on Pd/V(110). V atom segregation was not predicted in H-Pd/V(100). Due to the more endothermic V atom segregation process in pristine (100) than in (110) facet, a larger energy is necessary to induce V segregation by H adsorption in (100). The adsorption energies, charge density difference distributions, and density of states revealed the stronger H-V interaction compared to H-Pd interaction. Hence, H adsorption stabilizes the V atoms in the topmost layers and could induce V segregation in the surface.

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Section: Introductionmentioning

confidence: 99%

“…The cyan region corresponds to the electron-depleted region and the yellow region represents the electron-rich region. Isosurface level: 0.003 e −/a.u 3. .…”

mentioning

confidence: 99%

The tendency of V segregation in Pd/V(110) and Pd/V(100) surfaces induced by H adsorption

Palmero,

Shimizu,

Nakanishi

et al. 2024

Phys. Scr.

View full text Add to dashboard Cite

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Comprehensive review on nucleation, growth, and suppression of lithium dendrites in lithium anode batteries

Mishra,

Parmar,

Mukhopadhyay

2024

Journal of Energy Storage

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Improvement of the hydrogen evolution reaction and photocatalyst activity of ZiF-8 coated with RGO

Sleem,

Othman,

Gad-Elkareem

et al. 2024

Phys. Scr.

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The need for sustainable energy production is critical because of the considerable impact on the environment associated with the use of fossil fuels. In this study, we examine the physicochemical properties, photocatalytic performance, and electrochemical hydrogen evaluation of ZiF-8 coated with rGO, which were prepared using the ultrasonication method. All samples were examined with X-ray diffraction and exhibited a cubic phase. With an increase in rGO concentrations, the direct optical bandgap transition experienced a decline from 5.6 to 3.62 eV. As the concentration of rGO increased, a higher quantity of rGO was added resulting in the formation of a single layer of amorphous rGO on the surface. This layer of amorphous rGO played a key role in enhancing the electronic conductivity of the samples. The rGO coating effect on the photocatalytic performance since the efficiency of dye removal increased from 67% to 99% in 120 min. ZiF-8 combined with 8% rGO (ZiF-8@8%rGO) has a noticeably smaller arc radius compared to pure ZIF-8 and ZIF-8 with 4% rGO. the pure ZiF-8 is a typical n-type semiconductor. The ZiF-8@8%rGO demonstrated the highest rate of hydrogen evolution. These results suggest the feasibility of using ZiF-8@8%rGO for photoelectrochemical hydrogen generation.

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Doping induced mixed polytypic interfaces of MoS2 for superior electrocatalytic hydrogen evolution

Cited by 4 publications

References 53 publications

The tendency of V segregation in Pd/V(110) and Pd/V(100) surfaces induced by H adsorption

The tendency of V segregation in Pd/V(110) and Pd/V(100) surfaces induced by H adsorption

Comprehensive review on nucleation, growth, and suppression of lithium dendrites in lithium anode batteries

Improvement of the hydrogen evolution reaction and photocatalyst activity of ZiF-8 coated with RGO

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