Single layer diamond - A new ultrathin 2D carbon nanostructure for mechanical resonator

The single layer diamond - diamane, a two-dimensional (2D) form of diamond with a bilayer sp(3) carbon nanostructure, has been initially predicted in 2009, while its experimental synthesis has only been reported very recently. This work carries out a comprehensive study on the vibrational properties of diamane nanoribbon (DNR) targeting the ultra-sensitive sensing applications. Based on in silico studies, it is found that the DNR resonator possesses a higher natural frequency and a large quality factor (Q-factor) on the order of 10(5) higher than those of a bilayer nanoribbon resonator. Under pre-tensile strain, the natural frequency of the DNR resonator receives a remarkable increase and its Q-factor maintains a high magnitude yielding to an extremely high figure of merit on the order of 10(15). It is further found that the randomly distributed surface hydrogenation exerts negligible influence on the vibrational properties of the DNR resonator. However, an unevenly distributed hydrogenation results in out-of-plane deformation and significantly changes its vibrational properties. It is additionally found that the stacking configuration of the diamane leads to negligible influence on its vibrational properties. This study reveals that the DNR resonator has excellent vibrational properties, which are promising for the construction of ultrasensitive resonator-based sensors. (C) 2020 Elsevier Ltd. All rights reserved.