Supporting Information for “Zinc Oxide Quantum Rods”教程.pdfVIP

Supporting Information for “Zinc Oxide Quantum Rods” (JA031696+) Ming Yin, Yi Gu, Igor L. Kuskovsky, Tamar Andelman, Yimei Zhu,† G. F. Neumark, and Stephen O’Brien* Calculations of Zinc Oxide Quantum Rods related to the Free Excitonic PL Transition Energy: Within a model of cylindrical well with infinite barriers, the free excitonic PL transition energy 2 2 2 2 h x 1 h x 1 Eg + νn + νn −Eb (1D) (1) 2 2 2r me 2r mh is given by: where Eg (=3.36eV at T=300K [1]) is the bulk ZnO bandgap energy, xνn is the nth-zero of the Bessel function, Jν(x); me (=0.28m0 [1]) and mh (=0.59m0 [1]) are the effective masses of electrons and holes, respectively; r is the radius of nanorods, and Eb(1D) is the binding energy of 1-D exciton. In the nanorods with radius smaller than the exciton Bohr radius (aex), which is the case here (a ~2nm, r~1.1nm from TEM), it can be shown [2] that E (1D) ≈ 8E (3D), where ex b b Eb(3D) is the bulk exciton binding energy. Thus, using the Eq. (1), we obtain, for the ground state energy (3.55eV from the first absorption peak), r ≈1.3nm, which is in good agreement with the value estimated from TEM (1.1nm). The calculated value is slightly higher since actually there is a penetration of the electron wavefunction into the surrounding media (ligands) and therefore the infinite-barrier model gives the effective radius that includes the penetration length. Thus, the “real” radius of nanorods can be estimated as r = r−l , with l given by