Enabling Oxidation Protection and Carrier-Type Switching for Bismuth Telluride Nanoribbons via in Situ Organic Molecule Coating

Direct Measurement of the Thermal Expansion Coefficient of Epitaxial WSe2 by Four-Dimensional Scanning Transmission Electron Microscopy

“…A plane-wave basis set with an energy cutoff of 1088 eV was used for expressing the wave function. We used the Perdew–Burke–Ernzerhof (PBE) generalized gradient approximation, with semiempirical Grimme-D2 van der Waals correction to the total energy for bulk, which is common practice in layered systems. − We used Optimized Norm-Conserving Vanderbilt pseudopotentials from the Pseudodojo set . The Brillouin zone was sampled by a half-shifted 6 × 6 × 2 (for bulk) and 12 × 12 × 1 (for monolayer) Monkhorst–Pack k -point mesh, and the position of atoms in the structure was optimized until the forces on every atom were ≤0.0001 eV/Å.…”