Abstract:The properties of n- and p-doped silicon nanocrystals obtained through ab initio calculations are reviewed here. The aim is the understanding of the effects induced by substitutional doping on the structural, electronic and optical properties of free-standing and matrix-embedded Si nanocrystals. The preferential positioning of the dopants and their effects on the structural properties with respect to the undoped case, as a function of the nanocrystals diameter and termination, are identified through total-ener… Show more
“…It is well known that introduction of shallow impurities is capable of modifying electronic properties of bulk silicon. Similarly, doping with shallow impurities influences the electronic structure of silicon NCs [109][110][111][112][113][114][115][116][117], which, in turn, affects the electron-hole radiative recombination. It was revealed that doping of Si nanocrystals with P or Li is (under certain conditions) capable of improving their emittance [84,87,89,118].…”
In this review, we discuss several fundamental processes taking place in semiconductor nanocrystals (quantum dots (QDs)) when their electron subsystem interacts with electromagnetic (EM) radiation. The physical phenomena of light emission and EM energy transfer from a QD exciton to other electronic systems such as neighbouring nanocrystals and polarisable 3D (semi-infinite dielectric or metal) and 2D (graphene) materials are considered. In particular, emission decay and FRET rates near a plane interface between two dielectrics or a dielectric and a metal are discussed and their dependence upon relevant parameters is demonstrated. The cases of direct (II–VI) and indirect (silicon) band gap semiconductors are compared. We cover the relevant non-radiative mechanisms such as the Auger process, electron capture on dangling bonds and interaction with phonons. Some further effects, such as multiple exciton generation, are also discussed. The emphasis is on explaining the underlying physics and illustrating it with calculated and experimental results in a comprehensive, tutorial manner.
“…It is well known that introduction of shallow impurities is capable of modifying electronic properties of bulk silicon. Similarly, doping with shallow impurities influences the electronic structure of silicon NCs [109][110][111][112][113][114][115][116][117], which, in turn, affects the electron-hole radiative recombination. It was revealed that doping of Si nanocrystals with P or Li is (under certain conditions) capable of improving their emittance [84,87,89,118].…”
In this review, we discuss several fundamental processes taking place in semiconductor nanocrystals (quantum dots (QDs)) when their electron subsystem interacts with electromagnetic (EM) radiation. The physical phenomena of light emission and EM energy transfer from a QD exciton to other electronic systems such as neighbouring nanocrystals and polarisable 3D (semi-infinite dielectric or metal) and 2D (graphene) materials are considered. In particular, emission decay and FRET rates near a plane interface between two dielectrics or a dielectric and a metal are discussed and their dependence upon relevant parameters is demonstrated. The cases of direct (II–VI) and indirect (silicon) band gap semiconductors are compared. We cover the relevant non-radiative mechanisms such as the Auger process, electron capture on dangling bonds and interaction with phonons. Some further effects, such as multiple exciton generation, are also discussed. The emphasis is on explaining the underlying physics and illustrating it with calculated and experimental results in a comprehensive, tutorial manner.
“…It is well known that introduction of shallow impurities is capable of modifying electronic properties of bulk silicon. Similarly, doping with shallow impurities influences the electronic structure of silicon NCs [110][111][112][113][114][115][116][117][118] , which, in turn, affects the electron-hole radiative recombination. It was revealed that doping of Si nanocrystals with P or Li is (under certain conditions) capable of improving their emittance 85,88,90,119 .…”
“…Silicon (Si) and germanium (Ge) nanoclusters (NCs) have attracted a great deal of attention for potential applications in photonic devices, especially solar cells . In particular, the observation of multiple exciton generation (MEG) has created many expectancies for increasing the solar cell's efficiency .…”
Section: Eop Ehl Eth Values For the Highest Symmetry Group In Si(0≤mentioning
The multiple exciton generation (MEG) in Si (0 x 7) Ge (7Àx) nanoclusters using the equation-of-motion coupled-cluster (EOM-CCSD) method has been studied here. Simulation results indicate that the energy normalized to the optical bandgap, at which the absorptivity profile peaks, depends on the elemental structure of the nanocluster (NC). Moreover, the results show that the larger the number of Si atoms (x) in the NC, the larger the normalized MEG threshold to the optical energy gap (E Th ), and the larger the optical absorption cross section. As an example, the maximum absorptivity in Si 7 Ge 0 nanocluster is about 2.37 times that in Si 0 Ge 7 , and E Th for the former NC is larger than that of the latter. Hence, the superior optical absorptivity of Si 7 shows, despite its larger normalized MEG threshold, it is the most desirable option for the MEG process in light-harvesting devices, including solar cells. This is contrary to the concluding remark in our previous study that was made solely on the basis of comparing the normalized MEG thresholds.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.