One distinguished property of the topological insulator (TI) is its robust quantized edge
conductance against edge defect. However, this robustness, underlined by the topological …

Functional properties of 2D materials like graphene can be tailored by designing their 3D
structure at the Angstrom to nanometer scale. While there are routes to tailoring 3D structure …

Molecular dynamics simulations have been widely used to understand the properties of
nanomaterials. The main issue associated with molecular dynamic modeling is the high …

Precise control and in-depth understanding of the interfaces are crucial for the functionality-
oriented material design with desired properties. Herein, via modifying the long-standing …

Engineering grain boundary structure is a promising method for rational control of the
microstructure and mechanical properties of two-dimensional materials. In bulk materials …

We develop an automatic and objective method to measure and correct residual aberrations
in atomic-resolution HRTEM complex exit waves for crystalline samples aligned along a low …

We delve into the kinetics of intricate phase transformation of graphene to atomically thin
diamond, ie, diamane, to uncover the role of grain boundary (GB) type and configuration in …

We describe grain boundary structure and migration in graphene using the concept of
dislocations in the displacement shift complete lattice. The equivalence of displacement shift …

Grain boundaries (Gb) in transition metal dichalcogenides are a rich source of interesting
physics as well as a cause of concern because of its impact on electron transport across …

Molecular dynamics simulations are used to extract the traction–separation laws (TSLs) of
symmetric grain boundaries of graphene. Grain boundaries with realistic atomic structures …