本文選題：分形 + 謝爾賓斯基三角形�。� 參考：《物理化學學報》2016年01期

【摘要】：分形結構因其特殊的數學和美學意義受到科學家們長期以來的廣泛關注�；瘜W家更是試圖利用共價鍵和配位鍵等來合成各類分子分形結構,但由于溶解性的限制,始終無法實現高級別、無缺陷的分子分形結構的構筑。最近我們采用超高真空表面制備方法,成功獲得了基于鹵鍵與配位鍵的謝爾賓斯基三角分形結構,并使用掃描隧道顯微鏡(STM)對其生長機制進行了研究。4,4′′′-二溴-1,1′:3′,1′′:4′′,1′′′-四聯(lián)苯分子在Ag(111)表面通過自組裝形成了一系列無缺陷鹵鍵分形結構。由于鹵鍵作用較弱,該結構只能穩(wěn)定在液氮溫度以下。在Au(111)表面共沉積4,4′′-二氰基-1,1′:3′,1′′-三聯(lián)苯分子與鐵原子可以制備出更穩(wěn)定的配位分形結構。密度泛函理論計算揭示了分形結構的成像機制。蒙特卡洛計算表明,表面三節(jié)點的形成對謝爾賓斯基三角分形結構的生長具有重要意義。
[Abstract]:Because of its special mathematical and aesthetic significance, fractal structure has been widely concerned by scientists for a long time. Chemists try to use covalent bonds and coordination bonds to synthesize all kinds of molecular fractal structures. However, due to the solubility constraints, it is impossible to construct high-level, non-defective molecular fractal structures. Recently, we successfully obtained the Schelbinski triangular fractal structure based on the halogen bond and the coordination bond by using the ultra-high vacuum surface preparation method. The growth mechanism was studied by scanning tunneling microscope (STM). A series of non-defect halogen bond fractal structures were formed by self-assembly of the molecule of tetrabiphenyl on Ag (111) surface by means of scanning tunneling microscope (STM). The growth mechanism of the molecule was studied by means of scanning tunneling microscope (STM). The growth mechanism of the molecule was investigated by scanning tunneling microscope (STM). Because of the weak effect of halogen bond, the structure can only be stabilized below liquid nitrogen temperature. A more stable coordination fractal structure can be prepared by co-deposition of 4 ~ 4 ~ (4) -dicyano-1 ~ (- 1) -dicyano-1 ~ (-1)-1: 3 ~ (-1) -triphenyl molecule on au (111) surface with iron atoms, and a more stable coordination fractal structure can be obtained by the deposition of 4U (111). Density functional theory (DFT) calculation reveals the imaging mechanism of fractal structure. Monte Carlo calculations show that the formation of three nodes on the surface is of great significance to the growth of the Schelbinski triangular fractal structure.
【作者單位】： 北京大學電子系納米器件物理與化學教育部重點實驗室;北京大學(天津濱海)新一代信息技術研究院;北京大學化學與分子工程學院北京分子科學國家實驗室;
【基金】：國家自然科學基金(21522301,21373020,21403008,61321001,21433011,21133001,913000002) 國家重點基礎研究發(fā)展規(guī)劃項目(973)(2014CB239302,2013CB933404,2011CB808702) 高等學校博士學科點專項科研基金(20130001110029)資助~~
【分類號】：O641

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