期刊
JOURNAL OF CHEMICAL PHYSICS
卷 139, 期 8, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4819784
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资金
- Michigan State University (MSU)
Localization of electronic excitations at molecule-sized semiconductor defects often precedes non-radiative (NR) decay, and it is known that many molecules undergo NR decay via conical intersection. Herein, we report the direct simulation of fast and efficient NR decay via a conical intersection at a known semiconductor defect. It is suggested that this silicon epoxide defect may selectively quench photoluminescence (PL) in small silicon nanocrystals (band gap > similar to 2.8 eV), and thus influence both the observed PL yield and PL energy of oxidized silicon nanocrystals. (C) 2013 AIP Publishing LLC.
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