What Has Been Achieved
Finite-length grain boundaries and their topographic control using curved substrates are predicted from accurate empirical forcefield calculations.
Importance of Achievement
The study expands the scope and generalize the concept of grain boundaries, introducing a method of controlling the density and detailed geometry of grain boundaries that is general to all 2D materials.
Unique Features of the MIP That Enabled Project
Access to high-performance computing resources capable of modeling thousands of atoms.
Y. Wang and V. H. Crespi, “Theory of Finite-Length Grain Boundaries of Controlled Misfit Angle in Two-Dimensional Materials”, Nano Lett. 17, 5297 (2017).