电荷调节表面的自发对称性破缺
Spontaneous symmetry breaking of charge-regulated surfaces
摘要：
利用经典的密度泛函理论研究了两个化学性质相同的电荷调节表面之间的相互作用。与通常的预期和假设相反，在某些现实条件下，我们发现在两个表面上自发出现不同的电荷密度。表面电荷密度不仅在大小上不同，甚至在符号上也非常出乎意料地不同，这意味着两个化学性质相同的表面之间的静电相互作用可以是吸引的而不是排斥的。此外，在两个表面上具有相等电荷密度的初始对称性也可以在减小两个表面之间的间隔时自发地被打破。这一现象的起源是从溶液到表面的离子吸附和表面上已吸附的离子之间的相互作用之间的竞争。这些发现对于理解胶体物体之间的力是至关重要的，特别是，它们必将强烈影响蛋白质相互作用的现状。
英文摘要：
The interaction between two chemically identical charge-regulated surfaces is studied using the classical density functional theory. In contrast to common expectations and assumptions, under certain realistic conditions we find a spontaneous emergence of disparate charge densities on the two surfaces. The surface charge densities can differ not only in their magnitude, but quite unexpectedly, even in their sign, implying that the electrostatic interaction between the two chemically identical surfaces can be attractive instead of repulsive. Moreover, an initial symmetry with equal charge densities on both surfaces can also be broken spontaneously upon decreasing the separation between the two surfaces. The origin of this phenomenon is a competition between the adsorption of ions from the solution to the surface and the interaction between the adsorbed ions already on the surface.These findings are fundamental for the understanding of the forces between colloidal objects and, in particular, they are bound to strongly influence the present picture of protein interaction.
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