Hexagonal Monolayer Ice without Shared Edges
Hexagonal Monolayer Ice without Shared Edges
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无共享边缘的六角形单层冰
DOI：
10.1103/physrevlett.121.256001
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发表时间：
2018
影响因子：
8.6
通讯作者：
Meng Sheng
中科院分区：
文献类型：
--
作者：
Zhang Xin;Xu Ji Yu;Tu Yu Bing;Sun Kai;Tao Min Long;Xiong Zu Hong;Wu Ke Hui;Wang Jun Zhong;Xue Qi Kun;Meng Sheng
当吸附在固体上时，水分子通常排列成蜂窝状氢键网络。在这里，我们报告了一种新的单层冰的发现，完全由水六聚体，但没有共享的边缘，不同于所有传统的冰相。生长在石墨上的水在退火后结晶成坚固的单层冰，达到极高的密度。与金属表面的化学吸附冰不同，冰单层可以在石墨平台上平移和旋转，并跨越台阶生长，证实了其二维性质。第一性原理计算确定的单层冰结构作为一个强大的自组装紧密包装的水六聚体没有边缘共享，其稳定性是通过最大限度地提高惰性表面上的层内氢键的数量来保持。
When adsorbed on solids, water molecules are usually arranged into a honeycomb hydrogen-bond network. Here we report the discovery of a novel monolayer ice built exclusively from water hexamers but without shared edges, distinct from all conventional ice phases. Water grown on graphite crystalizes into a robust monolayer ice after annealing, attaining an exceedingly high density of. Unlike chemisorbed ice on metal surfaces, the ice monolayer can translate and rotate on graphite terraces and grow across steps, confirming its two-dimensional nature. First-principles calculations identify the monolayer ice structure as a robust self-assembly of closely packed water hexamers without edge sharing, whose stability is maintained by maximizing the number of intralayer hydrogen bonds on inert surfaces.