Atomic‐Scale Structural Modification of 2D Materials

Abstract

2D materials have attracted much attention since the discovery of graphene in 2004. Due to their unique electrical, optical, and magnetic properties, they have potential for various applications such as electronics and optoelectronics. Owing to thermal motion and lattice growth kinetics, different atomic‐scale structures (ASSs) can originate from natural or intentional regulation of 2D material atomic configurations. The transformations of ASSs can result in the variation of the charge density, electronic density of state and lattice symmetry so that the property tuning of 2D materials can be achieved and the functional devices can be constructed. Here, several kinds of ASSs of 2D materials are introduced, including grain boundaries, atomic defects, edge structures, and stacking arrangements. The design strategies of these structures are also summarized, especially for atomic defects and edge structures. Moreover, toward multifunctional integration of applications, the modulation of electrical, optical, and magnetic properties based on atomic‐scale structural modification are presented. Finally, challenges and outlooks are featured in the aspects of controllable structure design and accurate property tuning for 2D materials with ASSs. This work may promote research on the atomic‐scale structural modification of 2D materials toward functional applications.

Nanoscale Assembly of 2D Materials for Energy and Environmental Applications

“…[21] Recently, frontier research aims to utilize nanoscale assembly as one essential route toward tailoring of the microstructure, exploiting the strong structure-dependent material properties down to the atomic level. [22][23][24] Noteworthy that, unlike typical molecular self-assemble biomolecules or well-designed polymeric molecules, 2D materials lack any specific intermolecular interaction for spontaneous assembly, such as hydrogen bonding sites or amphiphilic structures for hydrophobic interaction. Moreover, typical 2D materials show extremely large distribution of in-plane shapes and dimensions, as well as various layer-stacking numbers, which is also distinctive from the welldefined molecular structures of conventional self-assembling biomolecules or synthetic polymers.…”

Enhanced electronic and optical responses of Nitrogen- or Boron-doped BeO monolayer: First principle computation

“…Twodimensional (2D) materials, in particular, are attractive owing to their atomic-thin layer structure and a variety of unique features. They still need extensive research and development to qualify for magnetic, electrical, optical, mechanical, and catalytic innovative applications [1,2,3,4,5,6,7].…”

Grain-boundary-rich 2D materials for attomolar-ability biochemical sensors

“…Notably, structural defects are able to be formed in the preparation process of 2D layered materials, and are strongly dependent on the preparation method. [28][29] Conventionally, 2D layered materials are produced by using top-down methods such as mechanical and liquid-phase exfoliation and bottom-up methods like solvothermal synthesis and chemical vapor deposition (CVD). Mechanical exfoliation is a simple and low-cost technique to obtain high-quality, surface-clean, few-layer 2D akes with uncontrollable size, shape and thickness; and the preferred high-throughput defects can be created via post-treatment defect engineering methods, like plasma, ion/electron beam and laser irradiation.…”

“…Mechanical exfoliation is a simple and low-cost technique to obtain high-quality, surface-clean, few-layer 2D akes with uncontrollable size, shape and thickness; and the preferred high-throughput defects can be created via post-treatment defect engineering methods, like plasma, ion/electron beam and laser irradiation. [28][29][30][31][32][33][34][35][36][37][38] However, the di culty in scalable production of large-scale few-layer 2D akes render mechanical exfoliation infeasible in practical applications. Liquid-phase exfoliation is a high-yield method to produce 2D crystals with non-uniform size, shape and thickness.…”