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用原子分辨率成像表面结构和冰的预溶

Jiani Hong¹, Ye Tian², Tiancheng Liang¹

¹International Center for Quantum Materials, School of Physics, Peking University, Beijing, People's Republic of China.

|May 22, 2024

概括

研究人员以原子分辨率对冰面进行了成像, 这项研究阐明了冰的表面结构和融化前过程.

科学领域:

表面科学
凝聚物质物理学
物理化学

背景情况:

冰面会影响重要的物理和化学过程,包括融化,摩擦和大气反应.
尽管进行了广泛的研究,但由于微妙的结网络和复杂的预溶现象,冰界面的精确原子结构仍然不明.

研究的目的:

实现六角水冰 (冰Ih) 的基底 (0001) 表面的原子分辨率成像.
阐明冰面的原子结构, 并了解冰的预溶背后的分子机制.

主要方法:

使用基于qPlus的冷原子力显微镜 (AFM) 与一氧化碳功能化的尖端进行高分辨率成像.
使用密度函数理论 (DFT) 计算来研究表面重建和稳定机制.

主要成果:

原子分辨率成像显示冰-Ih表面包含混合的Ih和立方 (Ic) 堆叠的纳米领域,形成周期性的超结构.
DFT计算表明,通过最小化悬挂OH键的静电排斥来稳定表面重建,在理想的冰面上是能量有利的.
观察到120克尔文以上的表面乱,这意味着预溶的开始,它始于域边界,并受到平面局部结构的影响.

结论:

这项研究为基底冰面提供了最终的原子尺度结构信息, 解决了长期的争论.
确定了冰的预融的分子起源,强调了域边界和局部结构的作用.
这些发现可能需要在理解冰的物理和化学方面进行范式转变,这将对各种表面依赖现象产生影响.

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