论文标题
次级计的稳定性在逼真的环境下
Stability of subnanometer MoS wires under realistic environment
论文作者
论文摘要
我们进行了第一原理密度功能理论计算氢和氧吸附以及对亚纳米纳米线的扩散。纳米线对氢的吸附是可靠的。另一方面，与氧气的相互作用表明纳米线可以用小屏障氧化。我们的结果为理解现实环境下MOS纳米线的行为开辟了道路。
We carried out first-principles density functional theory calculations of hydrogen and oxygen adsorption and diffusion on subnanometer MoS nanowires. The nanowires are robust against adsorption of hydrogen. On the other hand, interaction with oxygen shows that the nanowires can oxidize with a small barrier. Our results open the path for understanding the behavior of MoS nanowires under realistic environment.
