Singh Chetana, Ghorai Pradip K, Horsch Mark A, Jackson Alicia M, Larson Ronald G, Stellacci Francesco, Glotzer Sharon C
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA.
Phys Rev Lett. 2007 Nov 30;99(22):226106. doi: 10.1103/PhysRevLett.99.226106.
We perform atomistic and mesoscale simulations to explain the origin of experimentally observed stripelike patterns formed by immiscible ligands coadsorbed on the surfaces of gold and silver nanoparticles. We show that when the conformational entropy gained via this morphology is sufficient, microphase-separated stripelike patterns form. When the entropic gain is not sufficient, we instead predict bulk phase-separated Janus particles. We also show corroborating experimental results that confirm our simulational predictions that stripes form on flat surfaces as well as on curved nanoparticle surfaces.
我们进行了原子尺度和介观尺度的模拟,以解释实验观察到的由共吸附在金和银纳米颗粒表面的不混溶配体形成的条纹状图案的起源。我们表明,当通过这种形态获得的构象熵足够时,会形成微相分离的条纹状图案。当熵增不足时,我们预测会形成体相分离的Janus颗粒。我们还展示了确凿的实验结果,证实了我们的模拟预测,即在平面以及弯曲的纳米颗粒表面都会形成条纹。