By making use of first principles calculations, lithium-decorated (Li-decorated) and nitrogen-
doped (N-doped) penta-graphene (PG) was investigated as a potential material for …

As lithium-ion batteries (LIBs)/sodium-ion batteries (NIBs) electrode materials, transition
metal boride (MBene) has important applications in batteries. To find an promising electrode …

Water electrolysis is a sustainable and clean method to produce hydrogen fuel via hydrogen
evolution reaction (HER). Using stable, effective and low-cost electrocatalysts for HER to …

Sodium (Na)-ion batteries have received widespread attention due to their low cost and
good safety. The possibility of two-dimensional vanadium boride (V2B2, MBene) as the …

As an effective means to adjust the properties of 2D materials, type‐II van der Waals (vdW)
heterostructures have been under extensive research due to their significantly reduced …

Development of hybrid organic–inorganic lead halide perovskites is still hampered by the
toxicity of lead and their structural stability in air. Hence, the research of lead-free …

An emerging class of two-dimensional Janus materials has received increasing attention
due to their unique non-reflective symmetry crystal structure. In order to find a potential …

Abstract Lithium‐decorated (Li‐decorated) C3N has been investigated as a potential
material for high capacity reversible hydrogen storage. The energetic stability, dynamical …

Searching for catalysts of hydrogen evolution reaction (HER) that can replace Pt is critical.
Here, we investigated the HER electrocatalytic activity of pentagonal PdS2 (penta-PdS2) …

In order to achieve low-cost, high efficiency and stable photoelectric devices, two-
dimensional (2D) inorganic halide perovskite photosensitive layers need to cooperate with …