Early stages of collapsing pentacene crystal by Au
Early stages of collapsing pentacene crystal by Au
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Au 崩解并五苯晶体的早期阶段
DOI：
10.1063/1.2998539
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发表时间：
2008
影响因子：
4
通讯作者：
S. Cheong
中科院分区：
文献类型：
--
作者：
K. Ihm;Sukmin Chung;T. Kang;S. Cheong
金属与有机物上的金接触的特征是在接触形成过程中有机晶体的劣化。所揭示的关键挑战是探究引入原子金时有机晶体微观演化的动态细节。在这里，我们报告了即使是少数金原子也能引发并五苯晶体的塌缩。我们的结果表明，分子内和分子间 π-π 相互作用的温和解耦导致最低未占据分子轨道的局域化以及分子间内聚力的消除，导致随后的晶体塌陷。
The characteristic feature of metal contacts with gold on organics is deterioration of the organic crystals during the contact formation. The unveiled key challenge is to probe dynamic details of the microscopic evolution of the organic crystal when the atomic Au is introduced. Here, we report how the collapse of the pentacene crystal is initiated even by a few Au atoms. Our results indicate that the gentle decoupling of intra and intermolecular π-π interactions causes the localization of the lowest unoccupied molecular orbital as well as the removal of cohesive forces between molecules, leading to the subsequent crystal collapse.