本文關(guān)鍵詞：基于新型二維材料的微納米傳感器傳感機(jī)理研究　出處：《桂林電子科技大學(xué)》2017年碩士論文　論文類型：學(xué)位論文

  更多相關(guān)文章： 二維材料 密度泛函理論 電子結(jié)構(gòu) 傳感機(jī)理 Materials Studio

【摘要】：自2004年石墨烯被發(fā)現(xiàn)以來,二維材料已經(jīng)成為一個新的研究熱點(diǎn)。由于二維材料優(yōu)異的物理與化學(xué)特性,因此二維材料在傳感器上的應(yīng)用極具潛力。但現(xiàn)有各類二維材料各項(xiàng)特性并非完美,因此,二維材料研究領(lǐng)域一直在探尋一種各項(xiàng)性能優(yōu)異、易于制造的新型材料,并將其用于電子器件和傳感器領(lǐng)域。本論文主要利用第一性原理計(jì)算的方法來研究二維材料的電學(xué)特性和光學(xué)特性并分析其潛在傳感機(jī)理,為其未來傳感應(yīng)用打下理論基礎(chǔ)。論文的內(nèi)容具體安排如下:首先,通過范德華修正的密度泛函理論計(jì)算,證明了通過雜核雙氫鍵和外加電場能夠有效的調(diào)控石墨烷/全氫化六方氮化硼(G/fHBN)異質(zhì)結(jié)的電學(xué)特性和功函數(shù)。在施加不同方向的外加電場時,G/fHBN異質(zhì)結(jié)出現(xiàn)了明顯的絕緣體-半導(dǎo)體-金屬特性的轉(zhuǎn)變,表現(xiàn)出單向?qū)щ娦?功函數(shù)值較低且對外加電場十分敏感。接著,計(jì)算了G/fHBN異質(zhì)結(jié)的載流子遷移率。其次,鑒于雜核雙氫鍵在異質(zhì)結(jié)性質(zhì)調(diào)控中的巨大作用,緊接著探究了雙氫鍵對石墨烷/硅烷和全氫化六方氮化硼/硅烷異質(zhì)結(jié)穩(wěn)定性、電學(xué)性質(zhì)和光學(xué)性質(zhì)的影響。研究了外加電場對異質(zhì)結(jié)穩(wěn)定性和電學(xué)性質(zhì)的影響,并計(jì)算了其載流子遷移率。最后,對石墨烯/氧化鋁(G/A)雙層結(jié)構(gòu)的結(jié)構(gòu)和性質(zhì)進(jìn)行了研究,分析了其電學(xué)特性,并且探究了摻雜對石墨烯/氧化鋁雙層結(jié)構(gòu)電學(xué)特性的影響。
[Abstract]:Since 2004, graphene was discovered, the two-dimensional material has become a new research hotspot. The physical and chemical properties of two-dimensional materials with excellent, so a potential application of two-dimensional materials in sensors. But the existing types of two-dimensional material properties is not perfect, therefore, research in the field of two-dimensional material has been exploring an excellent performance, easy manufacture of new materials, which are used for electronic devices and sensors. The electrical and optical characteristics of this method is calculated using the first principle to study the two-dimensional materials and analysis the potential sensing mechanism, sensing applications for its future lay a theoretical foundation. The main contents of this paper are as follows: first, through the density functional theory Fan Dehua correction calculation, proved by heteronuclear double hydrogen bonding and external electric field can effectively control graphane / perhydrogenated six nitride Boron (G/fHBN) electrical characteristics and the work function of the heterojunction. In the electric field applied in different directions, G/fHBN heterojunction changed obviously metal insulator semiconductor properties, showing a single conductivity, lower work function values and the external electric field is very sensitive. Then, the carrier of G/fHBN heterojunction the migration rate was calculated. Secondly, in view of the miscellaneous nuclear double hydrogen bonding properties in the regulation of great role in heterogeneous, then explores the double hydrogen bond on the graphite / alkyl silane and perhydrogenated six boron nitride / silane heterojunction effect stability and optical properties. The influence of the electric field stability and electrical properties the heterogeneous, its carrier mobility is calculated. Finally, the graphene / alumina (G/A) structure and properties of bilayer structure is studied, analyzed its electrical characteristics, and explore the doping of graphene / alumina double The influence of the electrical characteristics of the layer structure.

【學(xué)位授予單位】：桂林電子科技大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2017
【分類號】：TP212

【參考文獻(xiàn)】

相關(guān)期刊論文 前3條

1 Jinying Wang;Shibin Deng;Zhongfan Liu;Zhirong Liu;;The rare two-dimensional materials with Dirac cones[J];National Science Review;2015年01期

2 王穎;盧鐵城;王躍忠;岳順利;齊建起;潘磊;;虛晶近似法研究AlN-Al_2O_3固溶體系的力學(xué)性能和電子結(jié)構(gòu)[J];物理學(xué)報(bào);2012年16期

3 汝強(qiáng);邱秀麗;;第一性原理計(jì)算α-Al_2O_3電子結(jié)構(gòu)及力學(xué)性能[J];材料研究與應(yīng)用;2009年03期

相關(guān)博士學(xué)位論文 前1條

1 殷景華;納米雜化薄膜微結(jié)構(gòu)分子模擬與表征及電性能[D];哈爾濱理工大學(xué);2006年

，

本文編號：1418897