本文選題：無(wú)機(jī)二維材料 + 全氫化錫烯��； 參考：《南京師范大學(xué)》2017年碩士論文

【摘要】：2004年,石墨烯的成功制備打破了二維材料不能穩(wěn)定存在的傳統(tǒng)認(rèn)識(shí),也掀起了二維材料的研究熱潮。石墨烯因?yàn)榫哂谐叩妮d流子遷移率,被認(rèn)為是制造下一代微電子學(xué)器件的理想材料。但是石墨烯是零帶隙的準(zhǔn)金屬材料,無(wú)法用于直接制備晶體管等微電子學(xué)器件。在本論文中,通過(guò)密度泛函理論研究了兩種新型的無(wú)機(jī)二維半導(dǎo)體材料,并對(duì)它們的電學(xué)、光學(xué)和力學(xué)性質(zhì)進(jìn)行了詳細(xì)的探究。首先,基于實(shí)驗(yàn)上制備出二維錫烯單層材料,構(gòu)建了全部氫化的錫烯-二維錫烷(SnH)。通過(guò)計(jì)算發(fā)現(xiàn)SnH具有1.00 eV的直接帶隙,并且可以通過(guò)施加外部應(yīng)力進(jìn)行有效的調(diào)控。SnH擁有遠(yuǎn)超單層MoS2的載流子遷移率,而且展現(xiàn)出非常好的熱力學(xué)穩(wěn)定性,因此在電子學(xué)器件領(lǐng)域有很好的應(yīng)用前景。特別的是,SnH在可見(jiàn)光區(qū)和紅外光區(qū)都有很強(qiáng)的吸收峰,由于太陽(yáng)光輻射的能量主要分布在紅外光區(qū),所以SnH是更好的太陽(yáng)光接收器,使其在光學(xué)器件領(lǐng)域有很好的應(yīng)用前景。此外,根據(jù)之前設(shè)計(jì)出的含有平面六配位C的二維Be2C單層結(jié)構(gòu),進(jìn)一步研究了它的電子學(xué)性質(zhì)和一維Be2C納米管的性質(zhì)。Be2C單層是具有直接帶隙的半導(dǎo)體,帶隙大小可以通過(guò)施加應(yīng)力調(diào)節(jié),直接帶隙的本質(zhì)不變,而且它的載流子遷移率也比較高。除了這些獨(dú)特的性質(zhì),它在紫外光區(qū)有很強(qiáng)的吸收峰。因此,Be2C單層在微電子學(xué)和光學(xué)器件中有非常好的應(yīng)用前景。一維Be2C納米管具有很高的穩(wěn)定性,并且其載流子遷移率也比較大,Be2C納米管的載流子遷移率和帶隙可以隨納米管的手性和直徑大小而變化。
[Abstract]:In 2004, the successful preparation of graphene broke the traditional understanding that two-dimensional materials could not exist stably, and set off a wave of research on two-dimensional materials. Because of its high carrier mobility, graphene is considered to be an ideal material for manufacturing the next generation of microelectronic devices. However, graphene is a non-band gap quasi-metallic material, which can not be directly used to fabricate microelectronic devices such as transistors. In this paper, two new inorganic two-dimensional semiconductor materials are studied by density functional theory, and their electrical, optical and mechanical properties are investigated in detail. Firstly, based on the experimental preparation of two-dimensional stannene monolayer materials, all hydrogenated stanne-2-D stannane tin monolayers were constructed. It is found by calculation that SnH has a direct band gap of 1.00eV and can be effectively controlled by applying external stress. SnH has a carrier mobility far higher than that of monolayer MoS2, and shows very good thermodynamic stability. Therefore, it has a good application prospect in the field of electronic devices. In particular, SnH has very strong absorption peaks in both visible and infrared regions. Because the energy of solar radiation is mainly distributed in the infrared region, SnH is a better solar receiver, which makes it have a good application prospect in the field of optical devices. In addition, according to the previously designed two-dimensional Be2C monolayer structure with planar six-coordinated C, the electronic properties and the properties of one-dimensional Be2C nanotubes. Be2C monolayer are semiconductors with direct band gap. The size of the band gap can be adjusted by applying stress, the nature of the direct band gap is invariant, and its carrier mobility is also relatively high. In addition to these unique properties, it has a strong absorption peak in the ultraviolet region. Therefore, Be2C monolayer has a good application prospect in microelectronics and optical devices. One-dimensional Be2C nanotubes have high stability, and the carrier mobility and band gap of one-dimensional Be2C nanotubes can vary with the chirality and diameter of the nanotubes.
【學(xué)位授予單位】：南京師范大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2017
【分類號(hào)】：TN304

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