Straintronics of two-dimensional (2D) materials offers enormous promise for both
fundamental research and smart technologies. Strain engineering of 2D materials has …

Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and
graphane have been proposed and unveiled after the discovery of the “wonder material” …

The structural and mechanical properties of graphene-like honeycomb monolayer structures
of MoS2 (g-MoS2) under various large strains are investigated using density functional …

In this paper, we study asymmetric 2D materials XMoSiN 2 constructed and optimized from
MoSi 2 N 4 by deleting SiN from one side and replacing remaining N atoms from the same …

Volatile organic compounds (VOCs) are typical air pollutants harming the environment and
human health, at present, the VOC detection is an essential challenge in environmental …

Two-dimensional layers of molybdenum disulfide, MoS2, have been recognized as
promising materials for nanoelectronics due to their exceptional electronic and optical …

By analyzing phonon dispersion, we have evaluated the average Young's modulus and
Poisson's ratio in graphite and in graphene grown on Ru (0001), Pt (111), Ir (111), Ni (111) …

Solid-state hydrogen storage is crucial for the widespread applications of hydrogen energy.
It is a grand challenge to find appropriate materials that provide high hydrogen density and …

The mechanical stabilities of planar (g) and low-buckled (b) honeycomb monolayer
structures of silicon under various large strains are investigated using density functional …

Graphene-based materials have gained a lot of scientific interest in the research era of
modern technology, which can be quite flexible. Graphene has become popular as a …