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  • In this article, theoretical interpretation and prediction of the optical properties of nanodiamond (ND) particles’, containing various luminescence centers, was made. Particularly, nitrogen, and chromium atoms embedded into the diamond crystal lattice were modeled. In the case of nitrogen centers containing ND particles, the effect of various surface terminations (hydrogen and/or oxygen, fluorine) was also studied. To get a qualitative better understanding of the complicated and specific process of ND particles, luminescence using density functional theory, were modeled processes and states influencing the luminescence of ND particles.
  • In this article, theoretical interpretation and prediction of the optical properties of nanodiamond (ND) particles’, containing various luminescence centers, was made. Particularly, nitrogen, and chromium atoms embedded into the diamond crystal lattice were modeled. In the case of nitrogen centers containing ND particles, the effect of various surface terminations (hydrogen and/or oxygen, fluorine) was also studied. To get a qualitative better understanding of the complicated and specific process of ND particles, luminescence using density functional theory, were modeled processes and states influencing the luminescence of ND particles. (en)
Title
  • Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations
  • Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations (en)
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  • Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations
  • Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations (en)
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  • RIV/68378271:_____/12:00382885!RIV13-TA0-68378271
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  • P(GAP304/10/1951), P(TA01011165), S, Z(AV0Z10100520), Z(AV0Z40400503)
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  • 9
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  • 157785
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  • RIV/68378271:_____/12:00382885
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  • defects; luminescence; nanodiamonds; surface termination (en)
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  • DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV
  • [2C9EC67C6AFC]
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  • Physica Status Solidi. A
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  • 209
http://linked.open...iv/tvurceVysledku
  • Kratochvílová, Irena
  • Záliš, Stanislav
  • Kovalenko, Alexander
  • Nesladek, M.
  • Petráková, Vladimíra
  • Ashcheulov, Petr
  • Kraus, I.
http://linked.open...ain/vavai/riv/wos
  • 000308942100024
http://linked.open...n/vavai/riv/zamer
issn
  • 1862-6300
number of pages
http://bibframe.org/vocab/doi
  • 10.1002/pssa.201200015
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