期刊
NANO LETTERS
卷 20, 期 2, 页码 852-859出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.9b03025
关键词
Nanocrystals; Silicon; Doping; High energy X-ray diffraction; Structure reconstruction; Reverse Monte Carlo simulation
类别
资金
- U.S. National Science Foundation through the University of Minnesota MRSEC [DMR-1420013]
- National Science Foundation Graduate Research Fellowship Program [00039202]
- Army Research Office MURI Grant [W911NF-18-1-0240]
- NSF through the MRSEC program
- DOE Office of Science, Argonne National Laboratory [DE-AC02-06CH11357]
Understanding the locations of dopant atoms in ensembles of nanocrystals is crucial to controlling the dopants' function. While electron microscopy and atom probe tomography methods allow investigation of dopant location for small numbers of nanocrystals, assessing large ensembles has remained a challenge. Here, we are using high energy X-ray diffraction (HE-XRD) and structure reconstruction via reverse Monte Carlo simulation to characterize nanocrystal structure and dopant locations in ensembles of highly boron and phosphorus doped silicon nanocrystals (Si NCs). These plasma-synthesized NCs are a particularly intriguing test system for such an investigation, as elemental analysis suggests that Si NCs can be hyperdoped beyond the thermodynamic solubility limit in bulk silicon. Yet, free carrier densities derived from local surface plasmon resonances suggest that only a fraction of dopants are active. We demonstrate that the structural characteristics garnered from HE-XRD and structure reconstruction elucidate dopant location and doping efficacy for doped Si NCs from an atomic-scale perspective.
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