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The optical absorption properties of non-crystalline and crystalline Ge nanoparticles with the sizes from ∼2.5 to 15Å have been studied at the B3LYP/6-31G level using time-dependent density functional theory. Hydrogen passivation and phosphorus doping on some selected Ge nanoparticles were also calculated. With the increase of cluster size, the optical absorption spectra of the non-crystalline Ge...
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