No abstract

There is an error in Figure 1 of this manuscript, as described here. WP-B5G10R5, x = 0.0005, y = 0.0010, z = 0.0005 should be changed to WP-B5G2R10, x = 0.0005, y = 0.0002, z = 0.0010. The correct figure is shown below:The authors apologize for any inconvenience caused. On page 789, Figure 4B contains an error. The size of the (PS) sphere observed in the image should be ca. 66 nm, while the actual diameter of the PS sphere is 60 nm. The size increase is due to the gold coating for the scanning electron microscopy measurement. The correct image is shown below.

Based on atomistic simulations, we investigated the mechanical properties of a single-layer diamonddiamane under tensile and bending deformation. It is found that the layer stacking sequence exerts ignorable influence on the mechanical properties of diamane. Specifically, a similar Young’s modulus is found along the zigzag and armchair directions, whereas a much larger fracture strain/strength is observed along the zigzag direction. Atomic configurations reveal that the fracture of diamane is dominated by the crack propagation along zigzag directions, which is independent of the tensile directions. Moreover, Young’s modulus and the fracture strain/strength are found to decrease when the temperature increases, and the relationship between the fracture strain/strength and temperature can be well described by the kinetic fracture theory. It is additionally found that diamane possesses a high bending stiffness (around 3600 eV Å). These findings establish a fundamental understanding of the mechanical behavior of diamane, which should benefit its usage in advanced nanodevices.

Carbon nanothread (C-NTH) is a new ultrathin one-dimensional sp3 carbon nanostructure, which exhibits promising applications in novel carbon nanofibers and nanocomposites. Recently, researchers have successfully developed a new alternative structureultrathin carbon nitride nanothread (CN-NTH). In this work, we investigate the mechanical properties of CN-NTHs through large-scale molecular dynamics simulations. Comparing with their C-NTH counterparts, CN-NTHs are found to exhibit a higher tensile and bending stiffness. In particular, because of the bond redistribution, the CN-NTHs in the polymer I group and tube (3,0) group are found to possess a higher failure strain than their C-NTH counterparts. However, the CN-NTH in the polytwistane group has a smaller failure strain compared with the pristine C-NTH. According to the atomic configurations, the presence of nitrogen atoms always leads to stress/strain concentrations for the nanothreads under tensile deformation. This study provides a comprehensive understanding of the mechanical properties of CN-NTHs, which should shed light on their potential applications such as fibers or reinforcements for nanocomposites.