周期性掺氮石墨烯中的相干和非相干声子输运

IF 2.7 3区 物理与天体物理 Q2 PHYSICS, APPLIED Journal of Applied Physics Pub Date : 2023-12-22 DOI:10.1063/5.0174005
Xin Li, Yingguang Liu, Hengxuan Li
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引用次数: 0

摘要

掺氮石墨烯材料具有优异的电学特性和可调的热导率,因此在各种应用领域大有可为。因此,我们利用非平衡分子动力学模拟来探索掺氮石墨烯纳米带的声子传输特性。研究结果表明,周期性掺入少量氮原子可诱导相干声子输运,从而导致热导率大幅降低。我们的分析深入研究了各种声子和能量传输参数,包括声子色散关系、群速度、态密度、参与率和光谱热流。通过这些研究,我们阐明了相干和非相干声子传输在不同条件下的共存和转换机制。此外,我们的研究结果还揭示了一个显著的趋势:一旦掺杂原子层中的氮原子浓度达到 37.5%,热导率的降低就会达到最大效果。超过这一浓度后,氮原子浓度的进一步增加会导致收益递减,使热导率的降低失效。
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Coherent and incoherent phonon transport in periodic nitrogen-doped graphene
Nitrogen-doped graphene materials hold significant promise for diverse applications owing to their exceptional electrical properties and the tunability of thermal conductivity. Therefore, the non-equilibrium molecular dynamics simulations were used to explore the phonon transport properties of nitrogen-doped graphene nanoribbons. The findings indicate that periodic doping with a small quantity of nitrogen atoms can induce coherent phonon transport, thereby resulting in a substantial reduction in thermal conductivity. Our analysis delves into various phonon and energy transport parameters, including the phonon dispersion relation, group velocity, state density, participation rate, and spectral heat flow. Through this examination, we have elucidated the coexistence and transformation mechanisms of both coherent and incoherent phonon transport under different conditions. Furthermore, our findings revealed a notable trend: once the concentration of nitrogen atoms in the doped atomic layer reaches 37.5%, the reduction in thermal conductivity attains its maximum effectiveness. Beyond this concentration, further increases in the nitrogen atom concentration result in diminishing returns, rendering the reduction in thermal conductivity ineffective.
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来源期刊
Journal of Applied Physics
Journal of Applied Physics 物理-物理:应用
CiteScore
5.40
自引率
9.40%
发文量
1534
审稿时长
2.3 months
期刊介绍: The Journal of Applied Physics (JAP) is an influential international journal publishing significant new experimental and theoretical results of applied physics research. Topics covered in JAP are diverse and reflect the most current applied physics research, including: Dielectrics, ferroelectrics, and multiferroics- Electrical discharges, plasmas, and plasma-surface interactions- Emerging, interdisciplinary, and other fields of applied physics- Magnetism, spintronics, and superconductivity- Organic-Inorganic systems, including organic electronics- Photonics, plasmonics, photovoltaics, lasers, optical materials, and phenomena- Physics of devices and sensors- Physics of materials, including electrical, thermal, mechanical and other properties- Physics of matter under extreme conditions- Physics of nanoscale and low-dimensional systems, including atomic and quantum phenomena- Physics of semiconductors- Soft matter, fluids, and biophysics- Thin films, interfaces, and surfaces
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