Modeling and simulations for 2D materials: a ReaxFF perspective

N Nayir, Q Mao, T Wang, M Kowalik, Y Zhang… - 2D …, 2023 - iopscience.iop.org
Recent advancements in the field of two-dimensional (2D) materials have led to the
discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale …

Moiré engineering in van der Waals heterostructures

T Rakib, P Pochet, E Ertekin, HT Johnson - Journal of Applied Physics, 2022 - pubs.aip.org
Isolated atomic planes can be assembled into a multilayer van der Waals (vdW)
heterostructure in a precisely chosen sequence. These heterostructures feature moiré …

Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures

MT Ahmed, C Wang, AS Banerjee, NC Admal - Mechanics of Materials, 2024 - Elsevier
In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of
stacks of two-dimensional (2D) materials, have risen to prominence due to their association …

Effect of graphene on the microstructure and corrosion resistance of PEO coating formed on D16T aluminum alloy

W Liu, X Li, Y **e, Z Zhang, H Yang… - … Journal of Applied …, 2022 - Wiley Online Library
Incorporated graphene coating was successfully prepared on D16T aluminum alloy by
plasma electrolytic oxidation (PEO) technology, and the effect of graphene on the …

Growth at high substrate coverage can decrease the grain boundary roughness of 2D materials

FDA Reis, B Marguet, O Pierre-Louis - arxiv preprint arxiv:2204.01894, 2022 - arxiv.org
Grain boundary roughness can affect electronic and mechanical properties of two-
dimensional materials. This roughness depends crucially on the growth process by which …

Formation of smoother grain boundaries in 2D materials using high deposition rates during the last stages of growth

FDAA Reis, B Marguet, O Pierre-Louis - 2D Materials, 2022 - iopscience.iop.org
Grain boundary (GB) roughness can affect electronic and mechanical properties of two-
dimensional materials. This roughness depends crucially on the growth process by which …

Effect of Graphene on the Microstructure, Corrosion Resistance and Wettability of PEO Coating Formed on D16T Aluminum Alloy

W Liu, X Li, Z Huang, Z Zhang, H Huo, C Song… - … and Wettability of PEO … - papers.ssrn.com
In the present study, incorporated graphene coating was successfully prepared on D16T
aluminum alloy by plasma electrolytic oxidation (PEO) technology and the effect of graphene …