Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis

doi:10.1039/C3CP00111C

Title: Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis

Authors:: Yang, Xiaohao; Masadeh, Ahmad S.; McBride, James R.; Božin, Emil S.; Rosenthal, Sandra J.; Billinge, Simon J. L.

Publication Date:: 2013-01-01

Research Org.:: Energy Frontier Research Centers (EFRC) (United States). Re-Defining Photovoltaic Efficiency Through Molecule Scale Control (RPEMSC)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI Identifier:: 1384149

DOE Contract Number:: SC0001085

Resource Type:: Journal Article

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Volume: 15; Journal Issue: 22; Related Information: RPEMSC partners with Columbia University (lead); Brookhaven National Laboratory; Purdue University; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: solar (photovoltaic), electrodes - solar, charge transport, materials and chemistry by design, optics, synthesis (novel materials)

Citation Formats


                    Yang, Xiaohao, Masadeh, Ahmad S., McBride, James R., Božin, Emil S., Rosenthal, Sandra J., and Billinge, Simon J.  L. Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis.  United States: N. p., 2013. 
        Web.  doi:10.1039/C3CP00111C.

Copy to clipboard


                    Yang, Xiaohao, Masadeh, Ahmad S., McBride, James R., Božin, Emil S., Rosenthal, Sandra J., & Billinge, Simon J.  L. Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis.  United States.  doi:10.1039/C3CP00111C.

Copy to clipboard


                    Yang, Xiaohao, Masadeh, Ahmad S., McBride, James R., Božin, Emil S., Rosenthal, Sandra J., and Billinge, Simon J.  L. Tue .  
        "Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis".  United States.  doi:10.1039/C3CP00111C.

Copy to clipboard


                    
@article{osti_1384149,

  title        = {Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis},

  author       = {Yang, Xiaohao and Masadeh, Ahmad S. and McBride, James R. and Božin, Emil S. and Rosenthal, Sandra J. and Billinge, Simon J.  L.},

  abstractNote = {},

  doi          = {10.1039/C3CP00111C},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  issn         = {1463-9076},

  number       = 22,

  volume       = 15,

  place        = {United States},

  year         = {2013},

  month        = {1}

}

Copy to clipboard

Journal Article:

DOI: 10.1039/C3CP00111C

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Ab initio determination of solid-state nanostructure
journal, March 2006

Juhás, P.; Cherba, D. M.; Duxbury, P. M.
Nature, Vol. 440, Issue 7084
DOI: 10.1038/nature04556

Structure Determination of Disordered Materials from Diffraction Data
journal, March 2010

Cliffe, Matthew J.; Dove, Martin T.; Drabold, D. A.
Physical Review Letters, Vol. 104, Issue 12
DOI: 10.1103/PhysRevLett.104.125501

Synthesis and characterization of nearly monodisperse CdE (E = sulfur, selenium, tellurium) semiconductor nanocrystallites
journal, September 1993

Murray, C. B.; Norris, D. J.; Bawendi, M. G.
Journal of the American Chemical Society, Vol. 115, Issue 19, p. 8706-8715
DOI: 10.1021/ja00072a025

The nanostructure problem
journal, March 2010

Billinge, Simon
Physics, Vol. 3
DOI: 10.1103/Physics.3.25

Dynamic Fluctuations in Ultrasmall Nanocrystals Induce White Light Emission
journal, May 2012

Pennycook, Timothy J.; McBride, James R.; Rosenthal, Sandra J.
Nano Letters, Vol. 12, Issue 6
DOI: 10.1021/nl3008727

Bright White Light Emission from Ultrasmall Cadmium Selenide Nanocrystals
journal, April 2012

Rosson, Teresa E.; Claiborne, Sarah M.; McBride, James R.
Journal of the American Chemical Society, Vol. 134, Issue 19
DOI: 10.1021/ja300132p

Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals
journal, July 2003

Yu, W. William; Qu, Lianhua; Guo, Wenzhuo
Chemistry of Materials, Vol. 15, Issue 14, p. 2854-2860
DOI: 10.1021/cm034081k

Rapid-acquisition pair distribution function (RA-PDF) analysis
journal, November 2003

Chupas, Peter J.; Qiu, Xiangyun; Hanson, Jonathan C.
Journal of Applied Crystallography, Vol. 36, Issue 6, p. 1342-1347
DOI: 10.1107/S0021889803017564

The Problem with Determining Atomic Structure at the Nanoscale
journal, April 2007

Billinge, S. J. L.; Levin, I.
Science, Vol. 316, Issue 5824
DOI: 10.1126/science.1135080

Size Dependence of a First Order Solid-Solid Phase Transition: The Wurtzite to Rock Salt Transformation in CdSe Nanocrystals
journal, July 1994

Tolbert, S. H.; Alivisatos, A. P.
Science, Vol. 265, Issue 5170
DOI: 10.1126/science.265.5170.373

Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis
journal, September 2007

Masadeh, A. S.; Božin, E. S.; Farrow, C. L.
Physical Review B, Vol. 76, Issue 11
DOI: 10.1103/PhysRevB.76.115413

Light-emitting diodes made from cadmium selenide nanocrystals and a semiconducting polymer
journal, August 1994

Colvin, V. L.; Schlamp, M. C.; Alivisatos, A. P.
Nature, Vol. 370, Issue 6488
DOI: 10.1038/370354a0

Semiconductor Nanocrystals as Fluorescent Biological Labels
patent, September 1998

Bruchez Jr., Marcel; Moronne, Mario Moronne; Gin, Peter Gin
Science, Vol. 281, Issue 5385, p. 2013-2016
DOI: 10.1126/science.281.5385.2013

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007

Farrow, C. L.; Juhas, P.; Liu, J. W.
Journal of Physics: Condensed Matter, Vol. 19, Issue 33
DOI: 10.1088/0953-8984/19/33/335219

On ultrasmall nanocrystals
journal, September 2010

McBride, James R.; Dukes, Albert D.; Schreuder, Michael A.
Chemical Physics Letters, Vol. 498, Issue 1-3
DOI: 10.1016/j.cplett.2010.08.052

White-Light Emission from Magic-Sized Cadmium Selenide Nanocrystals
journal, November 2005

Bowers, Michael J.; McBride, James R.; Rosenthal, Sandra J.
Journal of the American Chemical Society, Vol. 127, Issue 44
DOI: 10.1021/ja055470d

Structure of gold nanoparticles suspended in water studied by x-ray diffraction and computer simulations
journal, November 2005

Petkov, Valeri; Peng, Yong; Williams, Geoff
Physical Review B, Vol. 72, Issue 19
DOI: 10.1103/PhysRevB.72.195402

Structure determination of CdS and ZnS nanoparticles: Direct modeling of synchrotron-radiation diffraction data
journal, December 2005

Kumpf, C.; Neder, R. B.; Niederdraenk, F.
The Journal of Chemical Physics, Vol. 123, Issue 22
DOI: 10.1063/1.2129369

Origin and Scaling of the Permanent Dipole Moment in CdSe Nanorods
journal, March 2003

Li, Liang-shi; Alivisatos, A. Paul
Physical Review Letters, Vol. 90, Issue 9
DOI: 10.1103/PhysRevLett.90.097402

Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles
journal, April 2009

Farrow, Christopher L.; Billinge, Simon J. L.
Acta Crystallographica Section A Foundations of Crystallography, Vol. 65, Issue 3, p. 232-239
DOI: 10.1107/S0108767309009714

Structure of nanoparticles from powder diffraction data using the pair distribution function
journal, January 2005

Neder, Reinhard B.; Korsunskiy, Vladimir I.
Journal of Physics: Condensed Matter, Vol. 17, Issue 5
DOI: 10.1088/0953-8984/17/5/013

Phosphine-Free Synthesis of CdSe Nanocrystals
journal, November 2005

Jasieniak, Jacek; Bullen, Craig; van Embden, Joel
The Journal of Physical Chemistry B, Vol. 109, Issue 44, p. 20665-20668
DOI: 10.1021/jp054289o

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
DOI: 10.1080/08957959608201408

X‐ray structural characterization of larger CdSe semiconductor clusters
journal, December 1989

Bawendi, M. G.; Kortan, A. R.; Steigerwald, M. L.
The Journal of Chemical Physics, Vol. 91, Issue 11
DOI: 10.1063/1.457295

Similar records in OSTI.GOV collections:

In Situ Study of Atomic Structure Transformations of Pt-Ni Nanoparticle Catalysts during Electrochemical Potential Cycling

Journal Article Tuaev, Xenia ; Rudi, Stefan ; Petkov, Valeri ; ... - ACS Nano

When exposed to corrosive anodic electrochemical environments, Pt alloy nanoparticles (NPs) undergo selective dissolution of the less noble component, resulting in catalytically active bimetallic Pt-rich core–shell structures. Structural evolution of PtNi ₆ and PtNi ₃ NP catalysts during their electrochemical activation and catalysis was studied by in situ anomalous small-angle X-ray scattering to obtain insight in element-specific particle size evolution and time-resolved insight in the intraparticle structure evolution. Ex situ high-energy X-ray diffraction coupled with pair distribution function analysis was employed to obtain detailed information on the atomic-scale ordering, particle phases, structural coherence lengths, and particle segregation. Our studies revealmore »« less
DOI: 10.1021/nn402406k
Robust structure and morphology parameters for CdS nanoparticles by combining small-angle X-ray scattering and atomic pair distribution function data in a complex modeling framework

Journal Article Farrow, Christopher L. ; Shi, Chenyang ; Juhás, Pavol ; ... - Journal of Applied Crystallography (Online)

In this work, the concept of complex modeling (CM) is tested by carrying out a co-refinement of the atomic pair distribution function and small-angle X-ray scattering data from CdS nanoparticles. It is shown that, compared with either single technique alone, the CM approach yields a more accurate and robust structural insight into the atomic structure and morphology of nanoparticles. This work opens the door for the application of CM to a wider class of nanomaterials and for the incorporation of additional experimental and theoretical techniques into these studies.
DOI: 10.1107/S1600576713034055
Average and Local Crystal Structures of (Ga _1–x Zn _x )(N _1–x O _x ) Solid Solution Nanoparticles

Journal Article Feygenson, Mikhail ; Neuefeind, Joerg C. ; Tyson, Trevor A. ; ... - Inorganic Chemistry

We report a comprehensive study of the crystal structure of (Ga _1–x Zn _x)(N _1–x O _x) solid solution nanoparticles by means of neutron and synchrotron X-ray scattering. In our study, we used four different types of (Ga _1–x Zn _x)(N _1–x O _x) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show energy band gaps from 2.21 to 2.61 eV. Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is hexagonal wurtzite (space group P63mc) for the larger nanoparticles, while the crystal structure of smaller nanoparticles is disordered hexagonal. Pair-distribution-function analysis foundmore »« less
DOI: 10.1021/acs.inorgchem.5b01605
Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis

Journal Article Masadeh, A. S. ; Bozin, E. S. ; Farrow, C. L. ; ... - Physical Review. B, Condensed Matter and Materials Physics

The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in terms of the wurtzite atomic structure with extensive stacking faults. The density of faults in the nanoparticles is {approx}50%. The diameter of the core region was extracted directly from the PDF data and is in good agreement with the diameter obtained from standard characterization methods, suggesting that there is little surface amorphous region. A compressive strain was measured in the Cd-Se bond lengthmore »« less
DOI: 10.1103/PHYSREVB.76.115413
Average and local crystal structures of (Ga _1–xZn _x)(N _1–xO _x) solid solution nanoparticles

Journal Article Feygenson, Mikhail ; Neuefeind, Joerg C. ; Tyson, Trevor A. ; ... - Inorganic Chemistry

We report the comprehensive study of the crystal structure of (Ga _1–xZn _x)(N _1–xO _x) solid solution nanoparticles by means of neutron and synchrotron x-ray scattering. In our study we used four different types of (Ga _1–xZn _x)(N _1–xO _x) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show the narrow energy-band gaps from 2.21 to 2.61 eV. The Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is the hexagonal wurtzite (space group P6 ₃mc), in agreement with previous reports on similar bulk materials. The pair-distribution function (PDF) analysis of the samemore »« less
Cited by 4
DOI: 10.1021/acs.inorgchem.5b01605

Full Text Available

Similar Records

Title: Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis

Citation Formats

Ab initio determination of solid-state nanostructure journal, March 2006

Structure Determination of Disordered Materials from Diffraction Data journal, March 2010

Synthesis and characterization of nearly monodisperse CdE (E = sulfur, selenium, tellurium) semiconductor nanocrystallites journal, September 1993

The nanostructure problem journal, March 2010

Dynamic Fluctuations in Ultrasmall Nanocrystals Induce White Light Emission journal, May 2012

Bright White Light Emission from Ultrasmall Cadmium Selenide Nanocrystals journal, April 2012

Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals journal, July 2003

Rapid-acquisition pair distribution function (RA-PDF) analysis journal, November 2003

The Problem with Determining Atomic Structure at the Nanoscale journal, April 2007

Size Dependence of a First Order Solid-Solid Phase Transition: The Wurtzite to Rock Salt Transformation in CdSe Nanocrystals journal, July 1994

Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis journal, September 2007

Light-emitting diodes made from cadmium selenide nanocrystals and a semiconducting polymer journal, August 1994

Semiconductor Nanocrystals as Fluorescent Biological Labels patent, September 1998

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal, July 2007

On ultrasmall nanocrystals journal, September 2010

White-Light Emission from Magic-Sized Cadmium Selenide Nanocrystals journal, November 2005

Structure of gold nanoparticles suspended in water studied by x-ray diffraction and computer simulations journal, November 2005

Structure determination of CdS and ZnS nanoparticles: Direct modeling of synchrotron-radiation diffraction data journal, December 2005

Origin and Scaling of the Permanent Dipole Moment in CdSe Nanorods journal, March 2003

Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles journal, April 2009

Structure of nanoparticles from powder diffraction data using the pair distribution function journal, January 2005

Phosphine-Free Synthesis of CdSe Nanocrystals journal, November 2005

Two-dimensional detector software: From real detector to idealised image or two-theta scan journal, January 1996

X‐ray structural characterization of larger CdSe semiconductor clusters journal, December 1989

Ab initio determination of solid-state nanostructure
journal, March 2006

Structure Determination of Disordered Materials from Diffraction Data
journal, March 2010

Synthesis and characterization of nearly monodisperse CdE (E = sulfur, selenium, tellurium) semiconductor nanocrystallites
journal, September 1993

The nanostructure problem
journal, March 2010

Dynamic Fluctuations in Ultrasmall Nanocrystals Induce White Light Emission
journal, May 2012

Bright White Light Emission from Ultrasmall Cadmium Selenide Nanocrystals
journal, April 2012

Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals
journal, July 2003

Rapid-acquisition pair distribution function (RA-PDF) analysis
journal, November 2003

The Problem with Determining Atomic Structure at the Nanoscale
journal, April 2007

Size Dependence of a First Order Solid-Solid Phase Transition: The Wurtzite to Rock Salt Transformation in CdSe Nanocrystals
journal, July 1994

Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis
journal, September 2007

Light-emitting diodes made from cadmium selenide nanocrystals and a semiconducting polymer
journal, August 1994

Semiconductor Nanocrystals as Fluorescent Biological Labels
patent, September 1998

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007

On ultrasmall nanocrystals
journal, September 2010

White-Light Emission from Magic-Sized Cadmium Selenide Nanocrystals
journal, November 2005

Structure of gold nanoparticles suspended in water studied by x-ray diffraction and computer simulations
journal, November 2005

Structure determination of CdS and ZnS nanoparticles: Direct modeling of synchrotron-radiation diffraction data
journal, December 2005

Origin and Scaling of the Permanent Dipole Moment in CdSe Nanorods
journal, March 2003

Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles
journal, April 2009

Structure of nanoparticles from powder diffraction data using the pair distribution function
journal, January 2005

Phosphine-Free Synthesis of CdSe Nanocrystals
journal, November 2005

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

X‐ray structural characterization of larger CdSe semiconductor clusters
journal, December 1989