Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

Majidi R; Tabrizi KG; Jalili S

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Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

机译：掺杂对碳纳米管和氮化硼双壁杂纳米管电子性能的影响

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The effect of boron nitride (BN) doping on electronic properties of armchair double-walled carbon and hetero-nanotubes is studied using ab initio molecular dynamics method. The armchair double-walled hetero-nanotubes are predicted to be semiconductor and their electronic structures depend strongly on the electronic properties of the single-walled carbon nanotube. It is found that electronic structures of BN-doped double-walled hetero-nanotubes are intermediate between those of double-walled boron nitride nanotubes and double-walled carbon and boron nitride hetero-nanotubes. Increasing the amount of doping leads to a stronger intertube interaction and also increases the energy gap.

机译：采用从头算分子动力学方法研究了氮化硼（BN）掺杂对扶手椅双壁碳纳米管和杂纳米管电子性能的影响。扶手椅双壁异质纳米管被预测为半导体，其电子结构在很大程度上取决于单壁碳纳米管的电子特性。发现掺BN的双壁杂纳米管的电子结构介于双壁氮化硼纳米管与双壁碳和氮化硼杂纳米管的电子结构之间。掺杂量的增加导致更强的管间相互作用，并且还增加了能隙。

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《Physica, B. Condensed Matter》 |2009年第20期|共4页
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Majidi R; Tabrizi KG; Jalili S;
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Double-walled carbon and boron nitride hetero-nanotube; Boron nitride doping; Ab initio molecular dynamics method; Electronic band structures;

机译：双壁碳氮化硼杂纳米管氮化硼掺杂从头算分子动力学方法电子能带结构;

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1. Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes [J] . Majidi R, Tabrizi KG, Jalili S Physica, B. Condensed Matter . 2009,第20期

机译：掺杂对碳纳米管和氮化硼双壁杂纳米管电子性能的影响
2. Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties [J] . Pan H, Feng YP, Lin JY Nanotechnology . 2008,第9期

机译：氮化硼和碳双壁杂纳米管：电子性质的第一性原理计算
3. Rich interfacial chemistry and properties of carbon-doped hexagonal boron nitride nanosheets revealed by electronic structure calculations [J] . Xie Wei, Tamura Takahiro, Yanase Takashi, Japanese journal of applied physics . 2018,第4S期

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4. Carbon-doped zigzag boron nitride nanoribbons with widely tunable electronic and magnetic properties: insight from density functional calculations [C] . Shaobin Tang, Zexing Cao ICMSI;International conference of molecular simulations and applied informatics technologies . 2010

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5. Electrochemical oxidation of phenol in simulated petrochemical wastewaters using boron-doped diamond electrodes: Investigation of effect of ammonia, carbon nitride and sulfur presence. [D] . Dalhat, Mu'azu Nuhu. 2010

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6. Impact of Bi Doping into Boron Nitride Nanosheets on Electronic and Optical Properties Using Theoretical Calculations and Experiments [O] . Muhammad Ikram, Muhammad Wakeel, Jahanzeb Hassan, 2021

机译：使用理论计算和实验将BI掺杂到氮化硼纳米片上的影响
7. Rich interfacial chemistry and properties of carbon-doped hexagonal boron nitride nanosheets revealed by electronic structure calculations [O] . Wei Xie, Takahiro Tamura, Takashi Yanase, 2018

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8. Effect of Carbon Doping on the Electronic Structure and Elastic Properties of Boron Suboxide. [R] . Rahane, A. B., Dunn, J. S., Kumar, V. 2015

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Effect of doping on electronic properties of double-walled carbon and boron nitride hetero-nanotubes

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