Hydrogen fuel has long been considered a promising and practical alternative to
conventional fossil fuels for shaping the future of our energy landscape. The electrocatalytic …

Herein, by means of first-principle calculations based on density functional theory (DFT), the
electrochemical properties of monolayer VS 2 (M-VS 2), double-layer VS 2 (D-VS 2) and …

Seeking novel materials with specific applications is always an attractive theme in
developing two-dimensional (2D) materials. Herein, we predicted a series of 2D pentagonal …

Molybdenum disulfide (MoS 2) has been considered a promising high-efficiency, low-cost
hydrogen evolution reaction (HER) catalyst in acidic and alkaline media. However, the lack …

Rechargeable magnesium batteries (RMBs) are considered as highly promising energy
storage systems. However, the lack of cathode materials with fast Mg2+ diffusion kinetics …

Interlayer charge transfer in heterostructures plays an important role in tuning electronic
properties, which opens a new avenue for potential applications of two-dimensional …

As an important family of 2D materials, MXenes show great potential in various applications
due to their specific physical and chemical properties, such as high conductivity and surface …

In this study, our focus was on synthesizing and characterizing a fullerene modified with
copper nanoparticles. This modified fullerene catalyzes for the eco-friendly synthesis of …

Two-dimensional (2D) materials have attracted increasing interest in the past decades due
to their unique physical and chemical properties for diverse applications. In this work, we …

Two-dimensional transition metal dichalcogenides have been regarded as cheap and
abundant catalysts for driving electrolysis of water. Using density functional theory methods …