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Title: Dynamics of recombination via conical intersection in a semiconductor nanocrystal

Abstract

The ultrafast dynamics of nonradiative recombination at dangling bond defects is elucidated by nanoscale multireferenceab initiomolecular dynamics simulations.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry
  2. Stanford Univ., CA (United States). Dept. of Chemistry; SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)
  3. Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Chemistry
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1475548
Alternate Identifier(s):
OSTI ID: 1419973
Grant/Contract Number:  
CHE-1565634; AC02-76SF00515
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 9; Journal Issue: 3; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Nanocrystal; Conical intersection

Citation Formats

Peng, Wei-Tao, Fales, B. Scott, Shu, Yinan, and Levine, Benjamin G. Dynamics of recombination via conical intersection in a semiconductor nanocrystal. United States: N. p., 2018. Web. doi:10.1039/c7sc04221c.
Peng, Wei-Tao, Fales, B. Scott, Shu, Yinan, & Levine, Benjamin G. Dynamics of recombination via conical intersection in a semiconductor nanocrystal. United States. doi:10.1039/c7sc04221c.
Peng, Wei-Tao, Fales, B. Scott, Shu, Yinan, and Levine, Benjamin G. Tue . "Dynamics of recombination via conical intersection in a semiconductor nanocrystal". United States. doi:10.1039/c7sc04221c. https://www.osti.gov/servlets/purl/1475548.
@article{osti_1475548,
title = {Dynamics of recombination via conical intersection in a semiconductor nanocrystal},
author = {Peng, Wei-Tao and Fales, B. Scott and Shu, Yinan and Levine, Benjamin G.},
abstractNote = {The ultrafast dynamics of nonradiative recombination at dangling bond defects is elucidated by nanoscale multireferenceab initiomolecular dynamics simulations.},
doi = {10.1039/c7sc04221c},
journal = {Chemical Science},
number = 3,
volume = 9,
place = {United States},
year = {Tue Nov 13 00:00:00 EST 2018},
month = {Tue Nov 13 00:00:00 EST 2018}
}

Journal Article:
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Works referenced in this record:

Optical gain in silicon nanocrystals
journal, November 2000

  • Pavesi, L.; Dal Negro, L.; Mazzoleni, C.
  • Nature, Vol. 408, Issue 6811, p. 440-444
  • DOI: 10.1038/35044012

Silicon quantum wire array fabrication by electrochemical and chemical dissolution of wafers
journal, September 1990

  • Canham, L. T.
  • Applied Physics Letters, Vol. 57, Issue 10, p. 1046-1048
  • DOI: 10.1063/1.103561

Biodegradable luminescent porous silicon nanoparticles for in vivo applications
journal, February 2009

  • Park, Ji-Ho; Gu, Luo; von Maltzahn, Geoffrey
  • Nature Materials, Vol. 8, Issue 4, p. 331-336
  • DOI: 10.1038/nmat2398

General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112