Thiering Gergő, Londero Elisa, Gali Adam
Wigner Research Centre for Physics and Optics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest, Hungary.
Nanoscale. 2014 Oct 21;6(20):12018-25. doi: 10.1039/c4nr03112a. Epub 2014 Sep 2.
Fluorescent nanodiamonds constitute an outstanding alternative to semiconductor quantum dots and dye molecules for in vivo biomarker applications, where the fluorescence comes from optically active point defects acting as color centers in the nanodiamonds. For practical purposes, these color centers should be photostable as a function of the laser power or the surface termination of nanodiamonds. Furthermore, they should exhibit a sharp and nearly temperature-independent zero-phonon line. In this study, we show by hybrid density functional theory calculations that nickel doped nanodiamonds exhibit the desired properties, thus opening the avenue to practical applications. In particular, harnessing the strong quantum confinement effect in molecule-sized nanodiamonds is very promising for achieving multicolor imaging by single nickel-related defects.
荧光纳米金刚石在体内生物标志物应用方面是半导体量子点和染料分子的出色替代品，其荧光来自作为纳米金刚石中色心的光学活性点缺陷。出于实际应用的目的，这些色心应在激光功率或纳米金刚石的表面终止作用下具有光稳定性。此外，它们应表现出尖锐且几乎与温度无关的零声子线。在本研究中，我们通过混合密度泛函理论计算表明，镍掺杂的纳米金刚石具有所需的特性，从而为实际应用开辟了道路。特别是，利用分子尺寸纳米金刚石中的强量子限制效应对于通过单个镍相关缺陷实现多色成像非常有前景。
