Exciton Dissociation in CdSe/CdTe Heterostructure Nanorods

Journal Article · Wed Dec 08 00:00:00 EST 2010 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/jz101423s· OSTI ID:1564747

Wang, Shuzhi ^[1]; Wang, Lin-Wang ^[1]

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1. Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 50 F, Berkeley, California 94720, United States

Type-II heterostructure nanorods hold good prospects for efficient charge separation in nano solar cells. Here we employed local density approximation (LDA) quality plane wave pseudopotential methods to study exciton dissociation in CdSe/CdTe collinear nanorods. We corrected the LDA band gap by approximating GW equations, and studied the correlation effect with configuration interaction methods. The calculated binding energy and radiative decay time of the charge transfer excitons agree well with experiments. The thermally activated escaping time is estimated to be shorter than the radiative recombination time, indicating the possibility of exciton dissociation if the nonradiative channel is ignored.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Univ. of California, Oakland, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1564747
• Journal Information: Journal of Physical Chemistry Letters, Vol. 2, Issue 1; ISSN 1948-7185
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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