Boron nanotube growth by thermal evaporation

IF 2.5 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Computational Electronics Pub Date : 2025-06-02 DOI:10.1007/s10825-025-02343-0

Zahra Atharipour, Mohammadreza Saeidi

引用次数: 0

Abstract

In this paper, a novel model based on the kinetic theory of gases and phonon vibrations of boron nanotube (BNTs) on a catalyst is presented to describe the growth mechanism of BNTs in thermal evaporation. The interaction between the BNTs and the cathalyst is investigated by Lennard–Jones potential. Simulations demonstrate that the BNTs length during growth is saturated due to damping factors and the BNTs inertia. In addition, the results show there is an optimum growth rate of temperature for the growth of the BNTs and this optimum rate can be derived from the theory. Furthermore, the relationship between the BNTs length and the type of catalyst demonstrates the existence of an optimum catalyst for optimizing the growth of BNTs at a specific growth rate of temperature. Finally, it is shown that increasing partial pressure leads to the longest BNTs due to the increasing probability of binding. All results agree with reported experimental results, so they can be useful in future experimental and theoretical research for the optimization of BNTs growth.

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热蒸发法生长硼纳米管

本文基于硼纳米管在催化剂上的气体动力学理论和声子振动，建立了硼纳米管在热蒸发过程中的生长机理。用Lennard-Jones势研究了bnt与催化剂之间的相互作用。仿真结果表明，由于阻尼因素和惯性的影响，生长过程中bnt的长度是饱和的。结果表明，bnt的生长存在一个最佳生长温度，该最佳生长温度可由理论推导得到。此外，bnt的长度与催化剂类型之间的关系表明，在特定的温度生长速率下，存在优化bnt生长的最佳催化剂。最后，研究表明，由于分压的增加，结合概率的增加导致了最长的bnt。研究结果与已有的实验结果基本一致，可为今后bnt生长优化的实验和理论研究提供参考。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.