Expeditious Stochastic Calculation of Multiexciton Generation Rates in Semiconductor Nanocrystals

被引：40

作者：

Baer, Roi ^{[1
]}

Rabani, Eran ^{[2
]}

机构：

[1] Hebrew Univ Jerusalem, Fritz Haber Ctr Mol Dynam, Chaim Weizmann Inst Chem, IL-91904 Jerusalem, Israel

[2] Tel Aviv Univ, Sch Chem, Raymond & Beverly Sackler Fac Sci, IL-69978 Tel Aviv, Israel

来源：

NANO LETTERS | 2012年 / 12卷 / 04期

基金：

以色列科学基金会;

关键词：

Multiexciton generation; linear scaling; Monte Carlo; spectroscopy of semiconducting nanocrystals; MULTIPLE EXCITON GENERATION; CDSE QUANTUM DOTS; SMALL SI CLUSTERS; CARRIER-MULTIPLICATION; AB-INITIO; FILTER-DIAGONALIZATION; SOLAR-CELL; HIGH-LEVEL; EFFICIENCY; PBSE;

D O I：

10.1021/nl300452c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A stochastic method is developed to calculate the multiexciton generation (MEG) rates in semiconductor nanocrystals (NCs). The numerical effort scales near-linearly with system size allowing the study of MEG rates up to diameters and exciton energies previously unattainable using atomistic calculations. Illustrations are given for CdSe NCs of sizes and energies relevant to current experimental setups, where direct methods require treatment of over 10(11) states. The approach is not limited to the study of MEG and can be applied to calculate other correlated electronic processes.

引用

页码：2123 / 2128

页数：6

共 48 条

[1] Perspectives on the physical chemistry of semiconductor nanocrystals [J].

Alivisatos, AP .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (31) :13226-13239

[2] Semiconductor clusters, nanocrystals, and quantum dots [J].

Alivisatos, AP .

SCIENCE, 1996, 271 (5251) :933-937

[3] Role of impact ionization in multiple exciton generation in PbSe nanocrystals [J].

Allan, G. ;

Delerue, C. .

PHYSICAL REVIEW B, 2006, 73 (20)

[4] Optimization of Carrier Multiplication for More Effcient Solar Cells: The Case of Sn Quantum Dots [J].

Allan, Guy ;

Delerue, Christophe .

ACS NANO, 2011, 5 (09) :7318-7323

[5] Ab initio study of the alternating current impedance of a molecular junction [J].

Baer, R ;

Seideman, T ;

Ilani, S ;

Neuhauser, D .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (07) :3387-3396

[6] Can Impact Excitation Explain Efficient Carrier Multiplication in Carbon Nanotube Photodiodes? [J].

Baer, Roi ;

Rabani, Eran .

NANO LETTERS, 2010, 10 (09) :3277-3282

[7] Multiple exciton generation in colloidal silicon nanocrystals [J].

Beard, Matthew C. ;

Knutsen, Kelly P. ;

Yu, Pingrong ;

Luther, Joseph M. ;

Song, Qing ;

Metzger, Wyatt K. ;

Ellingson, Randy J. ;

Nozik, Arthur J. .

NANO LETTERS, 2007, 7 (08) :2506-2512

[8] On the absence of detectable carrier multiplication in a transient absorption study of InAs/CdSe/ZnSe core/shell1/shell2 quantum dots [J].

Ben-Lulu, Meirav ;

Mocatta, David ;

Bonn, Mischa ;

Banin, Uri ;

Ruhman, Sanford .

NANO LETTERS, 2008, 8 (04) :1207-1211

[9] Lifetime and polarization of the radiative decay of excitons, biexcitons, and trions in CdSe nanocrystal quantum dots [J].

Califano, Marco ;

Franceschetti, Alberto ;

Zunger, Alex .

PHYSICAL REVIEW B, 2007, 75 (11)

[10] The pseudopotential-density functional method applied to nanostructures [J].

Chelikowsky, JR .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2000, 33 (08) :R33-R50

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