MXene as a hydrogen storage material? A review from fundamentals to practical applications
Hydrogen is rapidly emerging as a leading candidate for the transition from conventional
non-renewable energy sources to sustainable alternatives, owing to its remarkably high …
non-renewable energy sources to sustainable alternatives, owing to its remarkably high …
Two-dimensional MOFs@ TMDs composites as a striking electrode material for next generation energy storage electrochemical devices: recent development and …
Researchers are developing innovative electrode materials with high energy and power
densities worldwide for effectual energy storage systems. The intriguing physical and …
densities worldwide for effectual energy storage systems. The intriguing physical and …
Unveiling the role of 2D monolayer Mn-doped MoS 2 material: toward an efficient electrocatalyst for H 2 evolution reaction
Two-dimensional (2D) monolayer pristine MoS2 transition metal dichalcogenide (TMD) is
the most studied material because of its potential applications as nonprecious …
the most studied material because of its potential applications as nonprecious …
Role of spin-resolved anti-bonding states filling for enhanced HER performance in 3d transition metals doped monolayer WSe2
Transition metal dichalcogenide monolayers are an emerging family of electrocatalysts, in
which Tungsten diselenide (WSe 2) has attracted attention for Hydrogen evolution reaction …
which Tungsten diselenide (WSe 2) has attracted attention for Hydrogen evolution reaction …
The effects of point defect type, location, and density on the Schottky barrier height of Au/MoS2 heterojunction: a first-principles study
Using DFT calculations, we investigate the effects of the type, location, and density of point
defects in monolayer MoS2 on electronic structures and Schottky barrier heights (SBH) of …
defects in monolayer MoS2 on electronic structures and Schottky barrier heights (SBH) of …
Hydrogen storage on flat land materials, opportunities, and challenges: a review study
Currently, hydrogen (H) is considered as a promising source of energy for future demands.
Although, significant work is dedicated to the H production, but its storage is still a …
Although, significant work is dedicated to the H production, but its storage is still a …
Impact of grain boundaries on the electronic properties and Schottky barrier height in MoS 2@ Au heterojunctions
Using density functional theory (DFT) calculations we thoroughly explored the influence of
grain boundaries (GBs) in monolayer MoS2 composed of S-polar (S5| 7), Mo-polar (Mo5| 7) …
grain boundaries (GBs) in monolayer MoS2 composed of S-polar (S5| 7), Mo-polar (Mo5| 7) …
Defect engineered magnetism induction and electronic structure modulation in monolayer MoS2
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The electronic, magnetic, and optical characteristics of a defective monolayer MoS 2 were
examined by employing density functional theory (DFT)-based first-principles calculations …
examined by employing density functional theory (DFT)-based first-principles calculations …
Illuminating the Role of Mo Defective 2D Monolayer MoTe2 toward Highly Efficient Electrocatalytic O2 Reduction Reaction
The fuel cell is one of the solutions to current energy problems as it comes under green and
renewable energy technology. The primary limitation of a fuel cell lies in the relatively slow …
renewable energy technology. The primary limitation of a fuel cell lies in the relatively slow …
MoS2 2D-polymorphs as Li-/Na-ion batteries: 1T'vs 2H phases
In this study, we compare the performance of two phases of MoS 2 monolayers: 1T'and 2H,
about their ability to adsorb lithium and sodium ions. Employing the density functional theory …
about their ability to adsorb lithium and sodium ions. Employing the density functional theory …