论文标题
锡，ZRN和HFN纳米颗粒的等离子体特性的计算研究：粒径，培养基和表面氧化的作用
Computational investigation of the plasmonic properties of TiN, ZrN, and HfN nanoparticles: The role of particle size, medium, and surface oxidation
论文作者
论文摘要
第4组过渡金属氮化金属（TMN）纳米颗粒（NPS）在可见的和近红外状态中表现出强烈的等离子响应，表现出高熔点和明显的化学稳定性，因此是Au和Ag基等离子体型的潜在地球丰富的替代品。但是，需要对TMN NP属性与等离子响应之间的关系的详细理解以最大化其效用。在这项研究中，局部表面等离子体共振（LSPR）频率，固定率和氮（TIN），氮化锆（ZRN）和硝酸盐（HFN）NP的nps的功能是粒度，表面氧化元素的功能（使用量子元素）的功能（nps）的功能（n硝酸锆（ZRN）和氮化物NP的功能（使用）元素的功能（fir）元素（fir）的元素（fir）均使用了周围的元素（fir）。观察到LSPR频率的线性红移和相关的全宽度的线性增加，最大（FWHM）的线性增加，粒径增加，氧化层厚度和中等折射率。我们表明，与较大的NP相比，表面氧化对TMN NP的等离激元性能的影响非常依赖于大小的尺寸，强度降低和宽阔。此外，还研究了HFN，ZRN，TIN以及用于窄带应用的AU NP的性能和效率 - 光热治疗（PTT）和宽带应用 - 太阳能转换。结果表明，NP的窄带和宽带光热性能在很大程度上取决于粒径，表面特性，并且在窄带吸收的情况下，激发波长。
Group 4 transition metal nitride (TMN) nanoparticles (NPs) display strong plasmonic responses in the visible and near-infrared regimes, exhibit high melting points and significant chemical stability and thus are potential earth-abundant alternatives to Au and Ag based plasmonic applications. However, a detailed understanding of the relationship between TMN NP properties and plasmonic response is required to maximize their utility. In this study, the localized surface plasmon resonance (LSPR) frequency, bandwidth, and extinction of titanium nitride (TiN), zirconium nitride (ZrN), and hafnium nitride (HfN) NPs were examined as a function of the particle size, surface oxidation, and refractive index of the surrounding medium using finite element method (FEM). A linear redshift in the LSPR frequency and a linear increase in the associated full-width at half maximum (FWHM) was observed with increasing the particle size, oxidation layer thickness, and medium refractive index. We show that the effect of surface oxidation on plasmonic properties of TMN NPs is strongly size-dependent with a significant LSPR redshift, intensity reduction, and broadening in small NPs compared to larger NPs. Furthermore, the performance and efficiency of HfN, ZrN, TiN as well as Au NPs for a narrowband application - photothermal therapy (PTT), and a broadband application - solar energy conversion, was investigated in detail. The results indicate that narrowband and broadband photothermal performance of NPs strongly depend on the particle size, surface properties and in case of narrowband absorption, excitation wavelength.
