论文部分内容阅读
我们运用非平衡热力学理论描述石墨烯表面氢的吸附、扩散和脱附行为。由于脱附受到限制，原子吸附氢只能在非平衡状态下存在。在室温附近，它们将基本脱附。在石墨烯表面，同时也存在氢的Ortho和Para型二聚物，并导致高温分子脱附。
石墨烯氢吸附、扩散和脱附
【摘 要】
：
我们运用非平衡热力学理论描述石墨烯表面氢的吸附、扩散和脱附行为。由于脱附受到限制，原子吸附氢只能在非平衡状态下存在。在室温附近，它们将基本脱附。在石墨烯表面，同时也存在氢的Ortho和Para型二聚物，并导致高温分子脱附。
【机 构】
：
中山大学物理科学与工程技术学院∥光电材料与技术国家重点实验室,广东广州510275 Departm
【出 处】
：
第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con
【发表日期】
：
2013年11期
其他文献
The electronic states in normal graphene monolayer(GML)and graphene bilayer(GBL)exhibit the Berry phases of π and 2π respectively. Here, We demonstrate both GML and GBL exhibit topologically nontrivia
采用Feynman-Vernon泛函积分的方法，我们推导出一个半经典的郎之万方程来描述分子结在电流作用下的动力学。分子中的原子就像布朗运动的粒子一样，感受到来自电子和声子热库的摩擦力和噪声。运用这一方法，我们研究分子结中在电流作用下的焦耳热，得到与非平衡格林函数相符的结果；我们得出了电流诱导力的非保守性，与先前的研究相符。同时，我们也预言了几个新的现象：(1)电流流过分子的时候，分子会感受到一个类
会议
We investigate the full counting statistics of a single quantum dot strongly coupled to a local phonon and weakly tunnel-connected to two metallic electrodes. By employing the generalized non-equilibr
IOP publishes 14 world-leading journals on condensed matter physics among its 70 prestigious physics related titles.IOP has very high quality requirement for papers being considered for publication.Pa
会议
We present two recent developments in ab initio auxiliary-field quantum Monte Carlo(AFQMC)[1] calculations of solid systems: down-folded Hamiltonians [2] and the treatment of excited states [3]. In th
Numerical studies on ultrafast photoinduced nonequilibrium process in a one-dimensional strongly cor
The time-dependent Lanczos method is employed to investigate the ultrafast non-equilibrium response of a one-dimensional strongly correlated system,i.e.,the half-filled extended Hubbard model,when it
The stable configurations and the corresponding electronic structures of hydrogenated graphyne are studied using first-principles method.
The adsorption and diffusion properties of sulfur on the Ni/YSZ(yttrium-stabilized zirconia)are studied using density functional theory calculations with the particular focus on the influence of the o