{"title":"碳纳米管和石墨烯表面的吸附、功能化和静电多极相互作用","authors":"Lykah Va, E. Syrkin","doi":"10.15406/ijbsbe.2018.4.00130","DOIUrl":null,"url":null,"abstract":"Carbon nanotubes (CNTs) are 1D nano materials, quantization along axis exists; CNT is considered as quantum wire or quantum dot.1 Functionalization is powerful method for tuning CNTs quantum energy levels and physical properties. Functionalization of 2D graphene and bigraphene layers is also applied widely. The theory was developed2 for energy spectra tuning in the semiconducting nanowires and polarons formation as the result of functionalization by molecular layers with (i) radial degree of freedom, (ii) conformational transition in the molecules and (iii) incommensurate structures. Periodic distribution of metals, metal organic3 and conducting polymers at CNT surface was found by TEM.4 The charge transfer3 leads to electron and hole (pair), spatially separated in neighboring substrate (CNT) and a molecule or atom. The aim of this work is theoretical consideration of initial stages of functionalization with the charge transfer. It is shown that the electron-hole pairs can be presented as the dipole and quadrupole moments with long range interaction. We consider situation of enough small molecules with relatively large distance between ones. At short range distances, compared with the molecules size, the proposed method would be applied with higher error. The charge transfer is example of a general contact interaction of molecules with different electro negativity. Thus, in comparison with CNT and graphene we have electronegative molecules with F, Cl, O, N. P, S atoms and electropositive metals or metal-organic complexes. In further consideration we suppose the molecules (atoms) to be electropositive and the electronic clouds of the transferred charge to be negative, they are shown in Figure 1. A dipole vector5 d = qr is shown as arrow between centers of negative and positive charges in Figure 1. Following to5,6 we write dipole-dipole interaction as:","PeriodicalId":15247,"journal":{"name":"Journal of Biosensors and Bioelectronics","volume":"89 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2018-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Adsorption, functionalization and electrostatic multipolar interactions at CNT and graphene surfaces\",\"authors\":\"Lykah Va, E. Syrkin\",\"doi\":\"10.15406/ijbsbe.2018.4.00130\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Carbon nanotubes (CNTs) are 1D nano materials, quantization along axis exists; CNT is considered as quantum wire or quantum dot.1 Functionalization is powerful method for tuning CNTs quantum energy levels and physical properties. Functionalization of 2D graphene and bigraphene layers is also applied widely. 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The charge transfer is example of a general contact interaction of molecules with different electro negativity. Thus, in comparison with CNT and graphene we have electronegative molecules with F, Cl, O, N. P, S atoms and electropositive metals or metal-organic complexes. In further consideration we suppose the molecules (atoms) to be electropositive and the electronic clouds of the transferred charge to be negative, they are shown in Figure 1. A dipole vector5 d = qr is shown as arrow between centers of negative and positive charges in Figure 1. 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引用次数: 0
摘要
碳纳米管(CNTs)是一维纳米材料,沿轴方向存在量化;碳纳米管被认为是量子线或量子点功能化是调节碳纳米管量子能级和物理性质的有效方法。二维石墨烯和石墨烯层的功能化也得到了广泛的应用。该理论是为半导体纳米线的能谱调整和极化子的形成而开发的,这是由具有(i)径向自由度的分子层,(ii)分子中的构象转变和(iii)不相称结构的分子层功能化的结果。tem发现金属、金属有机物和导电聚合物在碳纳米管表面的周期性分布。电荷转移导致电子和空穴(对)在空间上分离在邻近的衬底(碳纳米管)和分子或原子中。这项工作的目的是理论上考虑与电荷转移功能化的初始阶段。结果表明,电子-空穴对可以表现为具有远距离相互作用的偶极矩和四极矩。我们考虑足够小的分子,分子之间的距离比较大的情况。在较短的距离内,与分子大小相比,该方法的应用误差较大。电荷转移是具有不同电负性的分子之间的一般接触相互作用的例子。因此,与碳纳米管和石墨烯相比,我们有带F、Cl、O、n、P、S原子的电负性分子和带电正性的金属或金属有机配合物。进一步考虑,我们假设分子(原子)带正电,而转移电荷的电子云带负电,如图1所示。偶极矢量5 d = qr如图1中正负电荷中心之间的箭头所示。继式5,6,我们将偶极-偶极相互作用写成:
Adsorption, functionalization and electrostatic multipolar interactions at CNT and graphene surfaces
Carbon nanotubes (CNTs) are 1D nano materials, quantization along axis exists; CNT is considered as quantum wire or quantum dot.1 Functionalization is powerful method for tuning CNTs quantum energy levels and physical properties. Functionalization of 2D graphene and bigraphene layers is also applied widely. The theory was developed2 for energy spectra tuning in the semiconducting nanowires and polarons formation as the result of functionalization by molecular layers with (i) radial degree of freedom, (ii) conformational transition in the molecules and (iii) incommensurate structures. Periodic distribution of metals, metal organic3 and conducting polymers at CNT surface was found by TEM.4 The charge transfer3 leads to electron and hole (pair), spatially separated in neighboring substrate (CNT) and a molecule or atom. The aim of this work is theoretical consideration of initial stages of functionalization with the charge transfer. It is shown that the electron-hole pairs can be presented as the dipole and quadrupole moments with long range interaction. We consider situation of enough small molecules with relatively large distance between ones. At short range distances, compared with the molecules size, the proposed method would be applied with higher error. The charge transfer is example of a general contact interaction of molecules with different electro negativity. Thus, in comparison with CNT and graphene we have electronegative molecules with F, Cl, O, N. P, S atoms and electropositive metals or metal-organic complexes. In further consideration we suppose the molecules (atoms) to be electropositive and the electronic clouds of the transferred charge to be negative, they are shown in Figure 1. A dipole vector5 d = qr is shown as arrow between centers of negative and positive charges in Figure 1. Following to5,6 we write dipole-dipole interaction as: