Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

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Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots. / Moscheni, Daniele; Bertolotti, Federica; Piveteau, Laura; Protesescu, Loredana; Dirin, Dmitry N; Kovalenko, Maksym V; Cervellino, Antonio; Pedersen, Jan Skov; Masciocchi, Norberto; Guagliardi, Antonietta.

In: ACS Nano, Vol. 12, No. 12, 2018, p. 12558-12570.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Harvard

Moscheni, D, Bertolotti, F, Piveteau, L, Protesescu, L, Dirin, DN, Kovalenko, MV, Cervellino, A, Pedersen, JS, Masciocchi, N & Guagliardi, A 2018, 'Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots', ACS Nano, vol. 12, no. 12, pp. 12558-12570. https://doi.org/10.1021/acsnano.8b07092

APA

Moscheni, D., Bertolotti, F., Piveteau, L., Protesescu, L., Dirin, D. N., Kovalenko, M. V., ... Guagliardi, A. (2018). Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots. ACS Nano, 12(12), 12558-12570. https://doi.org/10.1021/acsnano.8b07092

CBE

Moscheni D, Bertolotti F, Piveteau L, Protesescu L, Dirin DN, Kovalenko MV, Cervellino A, Pedersen JS, Masciocchi N, Guagliardi A. 2018. Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots. ACS Nano. 12(12):12558-12570. https://doi.org/10.1021/acsnano.8b07092

MLA

Vancouver

Moscheni D, Bertolotti F, Piveteau L, Protesescu L, Dirin DN, Kovalenko MV et al. Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots. ACS Nano. 2018;12(12):12558-12570. https://doi.org/10.1021/acsnano.8b07092

Author

Moscheni, Daniele ; Bertolotti, Federica ; Piveteau, Laura ; Protesescu, Loredana ; Dirin, Dmitry N ; Kovalenko, Maksym V ; Cervellino, Antonio ; Pedersen, Jan Skov ; Masciocchi, Norberto ; Guagliardi, Antonietta. / Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots. In: ACS Nano. 2018 ; Vol. 12, No. 12. pp. 12558-12570.

Bibtex

@article{e7db707f2d1942118db7e3342170174d,
title = "Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots",
abstract = "Surface chemistry and core defects are known to play a prominent role in governing the photophysical properties of nanocrystalline semiconductors. Nevertheless, investigating them in small nanocrystals remains a complex task. Here, by combining X-ray scattering techniques in the wide- and small-angle regions and using the Debye Scattering Equation (DSE) method of analysis, we unveil a high density of planar defects in oleate-terminated zincblende (ZB) CdSe colloidal quantum dots (QDs) and size-dependent faceting within a square-cuboid morphology. Atomistic models of faulted ZB nanocrystals, based on the probabilistic stacking of CdSe layers in cubic and hexagonal sequences, and data analysis point to the preferential location of faults near the center of nanocrystals. By finely modeling faulting and morphological effects on the X-ray scattering pattern, a relaxation of the Cd-Se bond distance parallel to the stacking direction, up to +3{\%} (2.71 {\AA}) with respect to the reference bulk value (2.63 {\AA}) is detected, at the cubic/hexagonal transitions. The smallest nanocrystals show cubic {100} facets; {111} facets appear above 4 nm and progressively extend at larger sizes. These structural and morphological features likely vary depending on the synthesis conditions; nevertheless, since planar defects are nearly ubiquitous in CdSe QDs, the modeling approach here presented has a general validity. This work also points to the great potential of combining small- and wide-angle X-ray scattering and DSE-modeling techniques in gaining important knowledge on atomic-scale defects of semiconductor nanocrystals, underpinning the comprehension of the impact of structural defectiveness on the exciting properties of these QDs.",
keywords = "Debye scattering equation, X-ray small- and wide-angle scattering, nanocrystals, quantum dots, stacking faults, wurtzite, zincblende",
author = "Daniele Moscheni and Federica Bertolotti and Laura Piveteau and Loredana Protesescu and Dirin, {Dmitry N} and Kovalenko, {Maksym V} and Antonio Cervellino and Pedersen, {Jan Skov} and Norberto Masciocchi and Antonietta Guagliardi",
year = "2018",
doi = "10.1021/acsnano.8b07092",
language = "English",
volume = "12",
pages = "12558--12570",
journal = "A C S Nano",
issn = "1936-0851",
publisher = "American Chemical Society",
number = "12",

}

RIS

TY - JOUR

T1 - Size-Dependent Fault-Driven Relaxation and Faceting in Zincblende CdSe Colloidal Quantum Dots

AU - Moscheni, Daniele

AU - Bertolotti, Federica

AU - Piveteau, Laura

AU - Protesescu, Loredana

AU - Dirin, Dmitry N

AU - Kovalenko, Maksym V

AU - Cervellino, Antonio

AU - Pedersen, Jan Skov

AU - Masciocchi, Norberto

AU - Guagliardi, Antonietta

PY - 2018

Y1 - 2018

N2 - Surface chemistry and core defects are known to play a prominent role in governing the photophysical properties of nanocrystalline semiconductors. Nevertheless, investigating them in small nanocrystals remains a complex task. Here, by combining X-ray scattering techniques in the wide- and small-angle regions and using the Debye Scattering Equation (DSE) method of analysis, we unveil a high density of planar defects in oleate-terminated zincblende (ZB) CdSe colloidal quantum dots (QDs) and size-dependent faceting within a square-cuboid morphology. Atomistic models of faulted ZB nanocrystals, based on the probabilistic stacking of CdSe layers in cubic and hexagonal sequences, and data analysis point to the preferential location of faults near the center of nanocrystals. By finely modeling faulting and morphological effects on the X-ray scattering pattern, a relaxation of the Cd-Se bond distance parallel to the stacking direction, up to +3% (2.71 Å) with respect to the reference bulk value (2.63 Å) is detected, at the cubic/hexagonal transitions. The smallest nanocrystals show cubic {100} facets; {111} facets appear above 4 nm and progressively extend at larger sizes. These structural and morphological features likely vary depending on the synthesis conditions; nevertheless, since planar defects are nearly ubiquitous in CdSe QDs, the modeling approach here presented has a general validity. This work also points to the great potential of combining small- and wide-angle X-ray scattering and DSE-modeling techniques in gaining important knowledge on atomic-scale defects of semiconductor nanocrystals, underpinning the comprehension of the impact of structural defectiveness on the exciting properties of these QDs.

AB - Surface chemistry and core defects are known to play a prominent role in governing the photophysical properties of nanocrystalline semiconductors. Nevertheless, investigating them in small nanocrystals remains a complex task. Here, by combining X-ray scattering techniques in the wide- and small-angle regions and using the Debye Scattering Equation (DSE) method of analysis, we unveil a high density of planar defects in oleate-terminated zincblende (ZB) CdSe colloidal quantum dots (QDs) and size-dependent faceting within a square-cuboid morphology. Atomistic models of faulted ZB nanocrystals, based on the probabilistic stacking of CdSe layers in cubic and hexagonal sequences, and data analysis point to the preferential location of faults near the center of nanocrystals. By finely modeling faulting and morphological effects on the X-ray scattering pattern, a relaxation of the Cd-Se bond distance parallel to the stacking direction, up to +3% (2.71 Å) with respect to the reference bulk value (2.63 Å) is detected, at the cubic/hexagonal transitions. The smallest nanocrystals show cubic {100} facets; {111} facets appear above 4 nm and progressively extend at larger sizes. These structural and morphological features likely vary depending on the synthesis conditions; nevertheless, since planar defects are nearly ubiquitous in CdSe QDs, the modeling approach here presented has a general validity. This work also points to the great potential of combining small- and wide-angle X-ray scattering and DSE-modeling techniques in gaining important knowledge on atomic-scale defects of semiconductor nanocrystals, underpinning the comprehension of the impact of structural defectiveness on the exciting properties of these QDs.

KW - Debye scattering equation

KW - X-ray small- and wide-angle scattering

KW - nanocrystals

KW - quantum dots

KW - stacking faults

KW - wurtzite

KW - zincblende

UR - http://www.scopus.com/inward/record.url?scp=85058615702&partnerID=8YFLogxK

U2 - 10.1021/acsnano.8b07092

DO - 10.1021/acsnano.8b07092

M3 - Journal article

VL - 12

SP - 12558

EP - 12570

JO - A C S Nano

JF - A C S Nano

SN - 1936-0851

IS - 12

ER -