Gerrard Nikki, Mistry Kallum, Darling George R, Hodgson Andrew
Surface Science Research Centre and Department of Chemistry, University of Liverpool, Liverpool L69 3BX, U.K.
J Phys Chem Lett. 2020 Mar 19;11(6):2121-2126. doi: 10.1021/acs.jpclett.0c00407. Epub 2020 Mar 4.
Materials that bind strongly to water structure the contact layer, modifying its chemical and physical properties in a manner that depends on the symmetry and reactivity of the surface. Although detailed models have been developed for several inert surfaces, much less is known about reactive surfaces, particularly those with a symmetry different from that of ice. Here we investigate water adsorption on a rectangular surface, Ni(110), an active re-forming catalyst that interacts strongly with water. Instead of forming a network of H-bonded cyclic rings, water forms flat 1D water chains, leaving half the Ni atoms exposed. Second layer water also follows the surface symmetry, forming chains of alternating pentamer and heptamer rings in preference to an extended 2D structure. This behavior is different from that found on other surfaces studied previously and is driven by the short lattice spacing of the solid and the strength of the Ni-water bond.
与水强烈结合的材料会构成接触层,以一种取决于表面对称性和反应性的方式改变其化学和物理性质。尽管已经针对几种惰性表面开发了详细的模型,但对于反应性表面,尤其是那些对称性与冰不同的表面,人们了解得要少得多。在这里,我们研究水在矩形表面Ni(110)上的吸附情况,Ni(110)是一种与水强烈相互作用的活性重整催化剂。水没有形成氢键连接的环状网络,而是形成了扁平的一维水链,使得一半的镍原子暴露在外。第二层水也遵循表面对称性,优先形成由五聚体和七聚体环交替组成的链,而不是扩展的二维结构。这种行为与之前研究的其他表面不同,是由固体的短晶格间距和镍 - 水键的强度驱动的。