本文選題：分形 + 謝爾賓斯基三角形　； 參考：《物理化學(xué)學(xué)報》2016年01期

【摘要】：分形結(jié)構(gòu)因其特殊的數(shù)學(xué)和美學(xué)意義受到科學(xué)家們長期以來的廣泛關(guān)注�；瘜W(xué)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(jié)構(gòu),但由于溶解性的限制,始終無法實(shí)現(xiàn)高級別、無缺陷的分子分形結(jié)構(gòu)的構(gòu)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(jié)構(gòu),并使用掃描隧道顯微鏡(STM)對其生長機(jī)制進(jìn)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(jié)構(gòu)。由于鹵鍵作用較弱,該結(jié)構(gòu)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(jié)構(gòu)。密度泛函理論計算揭示了分形結(jié)構(gòu)的成像機(jī)制。蒙特卡洛計算表明,表面三節(jié)點(diǎn)的形成對謝爾賓斯基三角分形結(jié)構(gòu)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(xué)電子系納米器件物理與化學(xué)教育部重點(diǎn)實(shí)驗(yàn)室;北京大學(xué)(天津?yàn)I海)新一代信息技術(shù)研究院;北京大學(xué)化學(xué)與分子工程學(xué)院北京分子科學(xué)國家實(shí)驗(yàn)室;
【基金】：國家自然科學(xué)基金(21522301,21373020,21403008,61321001,21433011,21133001,913000002) 國家重點(diǎn)基礎(chǔ)研究發(fā)展規(guī)劃項(xiàng)目(973)(2014CB239302,2013CB933404,2011CB808702) 高等學(xué)校博士學(xué)科點(diǎn)專項(xiàng)科研基金(20130001110029)資助~~
【分類號】：O641

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