Temperature dependent local structure coherence of surface-modified BaTiO 3 nanocubes

Jiang, Bo; Zhao, Changhao; Metz, Peter C.; Jothi, Palani Raja; Kavey, Benard; Reven, Linda; Lindner-D'Addario, Michael; Jones, Jacob L.; Caruntu, Gabriel; Page, Katharine

doi:10.1039/D2TC00477A

Title: Temperature dependent local structure coherence of surface-modified BaTiO ₃ nanocubes

Journal Article · 03 August 2022 · Journal of Materials Chemistry C

DOI: https://doi.org/10.1039/D2TC00477A · OSTI ID:1867318

^[1];

^[2];

^[1];

^[3]; Kavey, Benard ^[4];

^[5]; Lindner-D'Addario, Michael ^[5];

^[6];

^[7];

^[8]

Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, 37831, USA
Department of Materials and Earth Sciences, Technical University of Darmastadt, 64287 Darmstadt, Germany, Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA
Department of Materials Science and Engineering and Institute for Advanced Materials and Manufacturing, University of Tennessee, Knoxville, TN 37996, USA
Department of Chemistry and Biochemistry, Central Michigan University, Mountain Pleasant, MI, 48859, USA
Department of Chemistry, Centre québécois sur les matériaux fonctionnels/Quebec Centre for Advanced Materials (CQMF/QCAM), McGill University, Montreal, QC H3A 0C5, Canada
Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695, USA
Department of Chemistry and Biochemistry, Central Michigan University, Mountain Pleasant, MI, 48859, USA, Department of Electrical Engineering and Computer Science and MANSID Research Center, Stefan Cel Mare’ University, 13, Universitatii St., Suceava, 720229, Romania
Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, 37831, USA, Department of Materials Science and Engineering and Institute for Advanced Materials and Manufacturing, University of Tennessee, Knoxville, TN 37996, USA

BaTiO ₃ nanocubes capped by polar tetrafluoroborate (BF ₄ ⁻ ) ligands are shown to have enhanced ferroelectric order and undergo sharper ferroelectric to paraelectric phase transitions relative to nanocubes capped with nonpolar oleic acid (OA) ligands.

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725

OSTI ID:: 1867318

Journal Information:: Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Journal Issue: 30 Vol. 10; ISSN JMCCCX; ISSN 2050-7526

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

References (66)

Domain Wall Displacement is the Origin of Superior Permittivity and Piezoelectricity in BaTiO ₃ at Intermediate Grain Sizes Ghosh, Dipankar; Sakata, Akito; Carter, Jared Advanced Functional Materials, Vol. 24, Issue 7 https://doi.org/10.1002/adfm.201301913	journal	September 2013
Effect of Ligand Polarity on the Internal Dipoles and Ferroelectric Distortion in BaTiO ₃ Nanocubes Jiang, Bo; Usher, Tedi‐Marie; Jothi, Palani Raja Chemistry – A European Journal, Vol. 27, Issue 32 https://doi.org/10.1002/chem.202100692	journal	May 2021
BaTiO ₃ -based nanolayers and nanotubes: First-principles calculations Evarestov, Robert A.; Bandura, Andrei V.; Kuruch, Dmitrii D. Journal of Computational Chemistry, Vol. 34, Issue 3 https://doi.org/10.1002/jcc.23115	journal	September 2012
Ab initio calculations of the BaTiO3 (100) and (110) surfaces Eglitis, R. I.; Borstel, G.; Heifets, E. Journal of Electroceramics, Vol. 16, Issue 4 https://doi.org/10.1007/s10832-006-9866-4	journal	July 2006
137Ba and 47,49Ti NMR: electric field gradients in the non-cubic phases of BaTiO3 Bastow, T. J.; Whitfield, H. J. Solid State Communications, Vol. 117, Issue 8 https://doi.org/10.1016/S0038-1098(00)00491-9	journal	February 2001
Size and scaling effects in barium titanate. An overview Buscaglia, Vincenzo; Randall, Clive A. Journal of the European Ceramic Society, Vol. 40, Issue 11 https://doi.org/10.1016/j.jeurceramsoc.2020.01.021	journal	September 2020
Phase coexistence and grain size effects on the functional properties of BaTiO3 ceramics Lukacs, V. A.; Airimioaei, M.; Padurariu, L. Journal of the European Ceramic Society, Vol. 42, Issue 5 https://doi.org/10.1016/j.jeurceramsoc.2021.12.024	journal	May 2022
Core-shell structure and size effect in barium titanate nanoparticle Fang, Chao; Zhou, DongXiang; Gong, ShuPing Physica B: Condensed Matter, Vol. 406, Issue 6-7 https://doi.org/10.1016/j.physb.2011.01.024	journal	March 2011
Stoichiometric Control over Ferroic Behavior in Ba(Ti _{1– x} Fe _x )O ₃ Nanocrystals Lombardi, Julien; Yang, Long; Pearsall, Frederick A. Chemistry of Materials, Vol. 31, Issue 4 https://doi.org/10.1021/acs.chemmater.8b04447	journal	January 2019
Effect of BaCO ₃ Impurities on the Structure of BaTiO ₃ Nanocrystals: Implications for Multilayer Ceramic Capacitors Usher, Tedi-Marie; Kavey, Benard; Caruntu, Gabriel ACS Applied Nano Materials, Vol. 3, Issue 10 https://doi.org/10.1021/acsanm.0c01809	journal	September 2020
Ferroelectric Barium Titanate Nanocubes as Capacitive Building Blocks for Energy Storage Applications Parizi, Saman Salemizadeh; Mellinger, Axel; Caruntu, Gabriel ACS Applied Materials & Interfaces, Vol. 6, Issue 20 https://doi.org/10.1021/am502547h	journal	October 2014
Small Is Different: Shape-, Size-, and Composition-Dependent Properties of Some Colloidal Semiconductor Nanocrystals El-Sayed, Mostafa A. Accounts of Chemical Research, Vol. 37, Issue 5 https://doi.org/10.1021/ar020204f	journal	May 2004
Atomic-Scale Structure of Nanocrystalline Ba _x Sr _1- _x TiO ₃ ( x = 1, 0.5, 0) by X-ray Diffraction and the Atomic Pair Distribution Function Technique Petkov, Valeri; Gateshki, Milen; Niederberger, Markus Chemistry of Materials, Vol. 18, Issue 3 https://doi.org/10.1021/cm052145g	journal	February 2006
Probing Local Dipoles and Ligand Structure in BaTiO ₃ Nanoparticles Page, Katharine; Proffen, Thomas; Niederberger, Markus Chemistry of Materials, Vol. 22, Issue 15 https://doi.org/10.1021/cm100440p	journal	August 2010
Electrical Energy Storage in Ferroelectric Polymer Nanocomposites Containing Surface-Functionalized BaTiO ₃ Nanoparticles Li, Junjun; Claude, Jason; Norena-Franco, Luis Enrique Chemistry of Materials, Vol. 20, Issue 20 https://doi.org/10.1021/cm8021648	journal	October 2008
Solution-Based Growth of Monodisperse Cube-Like BaTiO ₃ Colloidal Nanocrystals Adireddy, Shiva; Lin, Cuikun; Cao, Baobao Chemistry of Materials, Vol. 22, Issue 6 https://doi.org/10.1021/cm9038768	journal	March 2010
Structures of the ferroelectric phases of barium titanate Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L. The Journal of Physical Chemistry, Vol. 97, Issue 10 https://doi.org/10.1021/j100112a043	journal	March 1993
Crystal Structure and the Paraelectric-to-Ferroelectric Phase Transition of Nanoscale BaTiO ₃ Smith, Millicent B.; Page, Katharine; Siegrist, Theo Journal of the American Chemical Society, Vol. 130, Issue 22 https://doi.org/10.1021/ja0758436	journal	June 2008
A Generalized Ligand-Exchange Strategy Enabling Sequential Surface Functionalization of Colloidal Nanocrystals Dong, Angang; Ye, Xingchen; Chen, Jun Journal of the American Chemical Society, Vol. 133, Issue 4, p. 998-1006 https://doi.org/10.1021/ja108948z	journal	February 2011
Structural Evolution of BaTiO ₃ Nanocrystals Synthesized at Room Temperature Rabuffetti, Federico A.; Brutchey, Richard L. Journal of the American Chemical Society, Vol. 134, Issue 22 https://doi.org/10.1021/ja303184w	journal	May 2012
Effect of Surface Modification on the Dielectric Properties of BaTiO ₃ Nanocrystals Beier, Christopher W.; Cuevas, Marie A.; Brutchey, Richard L. Langmuir, Vol. 26, Issue 7 https://doi.org/10.1021/la9035419	journal	April 2010
Ferroelectric Phase Transition in Individual Single-Crystalline BaTiO ₃ Nanowires Spanier, Jonathan E.; Kolpak, Alexie M.; Urban, Jeffrey J. Nano Letters, Vol. 6, Issue 4 https://doi.org/10.1021/nl052538e	journal	April 2006
Origin of ferroelectricity in perovskite oxides Cohen, Ronald E. Nature, Vol. 358, Issue 6382 https://doi.org/10.1038/358136a0	journal	July 1992
Unit-cell scale mapping of ferroelectricity and tetragonality in epitaxial ultrathin ferroelectric films Jia, Chun-Lin; Nagarajan, Valanoor; He, Jia-Qing Nature Materials, Vol. 6, Issue 1 https://doi.org/10.1038/nmat1808	journal	December 2006
Direct in situ determination of the polarization dependence of physisorption on ferroelectric surfaces Li, Dongbo; Zhao, Mosha H.; Garra, J. Nature Materials, Vol. 7, Issue 6 https://doi.org/10.1038/nmat2198	journal	May 2008
Ferroelectric order in individual nanometre-scale crystals Polking, Mark J.; Han, Myung-Geun; Yourdkhani, Amin Nature Materials, Vol. 11, Issue 8 https://doi.org/10.1038/nmat3371	journal	July 2012
Neutron Total Scattering Studies of Group II Titanates (ATiO3, A2+ = Mg, Ca, Sr, Ba) Culbertson, Charles M.; Flak, Alexander T.; Yatskin, Michael Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-60475-8	journal	February 2020
Solvothermal synthesis and controlled self-assembly of monodisperse titanium-based perovskite colloidal nanocrystals Caruntu, Daniela; Rostamzadeh, Taha; Costanzo, Tommaso Nanoscale, Vol. 7, Issue 30 https://doi.org/10.1039/C5NR00737B	journal	January 2015
Experimental and simulation-based understanding of morphology controlled barium titanate nanoparticles under co-adsorption of surfactants Sun, Zhongyu; Zhang, Lei; Dang, Feng CrystEngComm, Vol. 19, Issue 24 https://doi.org/10.1039/C7CE00279C	journal	January 2017
Particle size effect of BaTiO ₃ nanofillers on the energy storage performance of polymer nanocomposites Bi, Meihua; Hao, Yanan; Zhang, Jiameng Nanoscale, Vol. 9, Issue 42 https://doi.org/10.1039/C7NR05212J	journal	January 2017
Ferroelectric state and polarization switching behaviour of ultrafine BaTiO ₃ nanoparticles with large-scale size uniformity Hao, Yanan; Feng, Zunpeng; Banerjee, Soham Journal of Materials Chemistry C, Vol. 9, Issue 15 https://doi.org/10.1039/D0TC05975G	journal	January 2021
Probing the local strain-mediated magnetoelectric coupling in multiferroic nanocomposites by magnetic field-assisted piezoresponse force microscopy Caruntu, Gabriel; Yourdkhani, Amin; Vopsaroiu, Marian Nanoscale, Vol. 4, Issue 10 https://doi.org/10.1039/c2nr00064d	journal	January 2012
Polarization imprint and size effects in mesoscopic ferroelectric structures Alexe, M.; Harnagea, C.; Hesse, D. Applied Physics Letters, Vol. 79, Issue 2 https://doi.org/10.1063/1.1385184	journal	July 2001
Asymmetric Hysteresis Loops and the Pyroelectric Effect in Barium Titanate Miller, Robert C.; Savage, Albert Journal of Applied Physics, Vol. 30, Issue 6 https://doi.org/10.1063/1.1735245	journal	June 1959
Size and temperature induced phase transition behaviors of barium titanate nanoparticles Hoshina, Takuya; Kakemoto, Hirofumi; Tsurumi, Takaaki Journal of Applied Physics, Vol. 99, Issue 5 https://doi.org/10.1063/1.2179971	journal	March 2006
Composite structure and size effect of barium titanate nanoparticles Hoshina, Takuya; Wada, Satoshi; Kuroiwa, Yoshihiro Applied Physics Letters, Vol. 93, Issue 19 https://doi.org/10.1063/1.3027067	journal	November 2008
Diode and photocurrent effect in ferroelectric BaTiO _3−δ Won, C. J.; Park, Y. A.; Lee, K. D. Journal of Applied Physics, Vol. 109, Issue 8 https://doi.org/10.1063/1.3569619	journal	April 2011
Phase coexistence evolution of nano BaTiO ₃ as function of particle sizes and temperatures Zhu, Jinlong; Han, Wei; Zhang, Hui Journal of Applied Physics, Vol. 112, Issue 6 https://doi.org/10.1063/1.4751332	journal	September 2012
Significant increase of Curie temperature in nano-scale BaTiO ₃ Li, Yueliang; Liao, Zhenyu; Fang, Fang Applied Physics Letters, Vol. 105, Issue 18 https://doi.org/10.1063/1.4901169	journal	November 2014
Decoupling indirect topographic cross-talk in band excitation piezoresponse force microscopy imaging and spectroscopy Yang, Sang Mo; Mazet, Lucie; Okatan, M. Baris Applied Physics Letters, Vol. 108, Issue 25 https://doi.org/10.1063/1.4954276	journal	June 2016
BaTiO ₃ -based piezoelectrics: Fundamentals, current status, and perspectives Acosta, M.; Novak, N.; Rojas, V. Applied Physics Reviews, Vol. 4, Issue 4 https://doi.org/10.1063/1.4990046	journal	December 2017
Uncovering the symmetry of the induced ferroelectric phase transformation in polycrystalline barium titanate Lemos da Silva, Lucas; Lee, Kai-Yang; Petrick, Simon Journal of Applied Physics, Vol. 130, Issue 23 https://doi.org/10.1063/5.0068703	journal	December 2021
Investigation of Barium Titanate Nanoparticles by ¹³⁷ Ba NMR Sedykh, P.; Haase, J.; Michel, D. Ferroelectrics, Vol. 363, Issue 1 https://doi.org/10.1080/00150190802026572	journal	May 2008
Size Effects in Fine Barium Titanate Particles Sedykh, P.; Michel, D.; Charnaya, E. V. Ferroelectrics, Vol. 400, Issue 1 https://doi.org/10.1080/00150193.2010.505514	journal	September 2010
Theoretical study on small clusters of BaTiO ₃ using DFT calculations Salazar-Villanueva, M.; Hernandez, A. Bautista; Anota, E. Chigo Molecular Simulation, Vol. 39, Issue 7 https://doi.org/10.1080/08927022.2012.754098	journal	June 2013
APS: High-Energy X-rays Expediting Applied and Fundamental Research Ruett, U.; Almer, J.; Kenesei, P. Synchrotron Radiation News, Vol. 33, Issue 6 https://doi.org/10.1080/08940886.2020.1841498	journal	December 2020
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Dual-frequency resonance-tracking atomic force microscopy Rodriguez, Brian J.; Callahan, Clint; Kalinin, Sergei V. Nanotechnology, Vol. 18, Issue 47, Article No. 475504 https://doi.org/10.1088/0957-4484/18/47/475504	journal	October 2007
Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D. Reports on Progress in Physics, Vol. 81, Issue 3 https://doi.org/10.1088/1361-6633/aa915a	journal	January 2018
Grain-size effect on structure and phase transformations for barium titanate Frey, M. H.; Payne, D. A. Physical Review B, Vol. 54, Issue 5 https://doi.org/10.1103/PhysRevB.54.3158	journal	August 1996
Critical size and anomalous lattice expansion in nanocrystalline BaTiO 3 particles Tsunekawa, S.; Ito, S.; Mori, T. Physical Review B, Vol. 62, Issue 5 https://doi.org/10.1103/PhysRevB.62.3065	journal	August 2000
Grain-size effects on the ferroelectric behavior of dense nanocrystalline BaTiO 3 ceramics Zhao, Zhe; Buscaglia, Vincenzo; Viviani, Massimo Physical Review B, Vol. 70, Issue 2 https://doi.org/10.1103/PhysRevB.70.024107	journal	July 2004
Ab initio calculations of Ba Ti O 3 and Pb Ti O 3 (001) and (011) surface structures Eglitis, R. I.; Vanderbilt, David Physical Review B, Vol. 76, Issue 15 https://doi.org/10.1103/PhysRevB.76.155439	journal	October 2007
Structural coherence and ferroelectricity decay in submicron- and nano-sized perovskites Petkov, V.; Buscaglia, V.; Buscaglia, M. T. Physical Review B, Vol. 78, Issue 5 https://doi.org/10.1103/PhysRevB.78.054107	journal	August 2008
Ferroelectric phase transition in barium titanate nanoparticles Sedykh, P.; Michel, D. Physical Review B, Vol. 79, Issue 13 https://doi.org/10.1103/PhysRevB.79.134119	journal	April 2009
Surface polarization, rumpling, and domain ordering of strained ultrathin BaTiO 3 (001) films with in-plane and out-of-plane polarization Dionot, Jelle; Geneste, Grégory; Mathieu, Claire Physical Review B, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRevB.90.014107	journal	July 2014
Barium titanate nanoparticles: Short-range lattice distortions with long-range cubic order Shi, Chenyang; Billinge, Simon J. L.; Puma, Eric Physical Review B, Vol. 98, Issue 8 https://doi.org/10.1103/PhysRevB.98.085421	journal	August 2018
Evolution of the Structure and Thermodynamic Stability of the BaTiO 3 ( 001 ) Surface Kolpak, Alexie M.; Li, Dongbo; Shao, Rui Physical Review Letters, Vol. 101, Issue 3 https://doi.org/10.1103/PhysRevLett.101.036102	journal	July 2008
Persistence of Surface Domain Structures for a Bulk Ferroelectric above T C Höfer, A.; Fechner, M.; Duncker, K. Physical Review Letters, Vol. 108, Issue 8 https://doi.org/10.1103/PhysRevLett.108.087602	journal	February 2012
Emergence of Long-Range Order in BaTiO 3 from Local Symmetry-Breaking Distortions Senn, M. S.; Keen, D. A.; Lucas, T. C. A. Physical Review Letters, Vol. 116, Issue 20 https://doi.org/10.1103/PhysRevLett.116.207602	journal	May 2016
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions Juhás, P.; Davis, T.; Farrow, C. L. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813005190	journal	March 2013
A numerical method for deriving shape functions of nanoparticles for pair distribution function refinements Usher, Tedi-Marie; Olds, Daniel; Liu, Jue Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue 4 https://doi.org/10.1107/S2053273318004977	journal	June 2018
Dependence of the Crystal Structure on Particle Size in Barium Titanate Uchino, Kenji; Sadanaga, Eiji; Hirose, Terukiyo Journal of the American Ceramic Society, Vol. 72, Issue 8 https://doi.org/10.1111/j.1151-2916.1989.tb07706.x	journal	August 1989
Effect of Particle Size on the Room-Temperature Crystal Structure of Barium Titanate Begg, Bruce D.; Vance, Eric R.; Nowotny, Janusz Journal of the American Ceramic Society, Vol. 77, Issue 12 https://doi.org/10.1111/j.1151-2916.1994.tb04568.x	journal	December 1994
A Theoretical Model on Size Effect of Dielectric Response in DC Bias Field in Barium Titanate Ceramic System: Model on Size Effect of Dielectric Response in DC Field Sun, Tieyu; Wang, Xiaohui; Wang, Han Journal of the American Ceramic Society, Vol. 93, Issue 11 https://doi.org/10.1111/j.1551-2916.2010.03935.x	journal	August 2010
Size effect of barium titanate: fine particles and ceramics Hoshina, Takuya Journal of the Ceramic Society of Japan, Vol. 121, Issue 1410 https://doi.org/10.2109/jcersj2.121.156	journal	January 2013

Similar Records

Effect of Ligand Polarity on the Internal Dipoles and Ferroelectric Distortion in BaTiO₃ Nanocubes

Journal Article · 2021 · Chemistry - A European Journal · OSTI ID:1846547

Jiang, Bo; Usher-Ditzian, Tedi-Marie; Jothi, Palani Raja; +3 more

In situ TEM measurement of electrical properties of individual BaTiO₃ nanocubes

Journal Article · 2021 · Applied Physics Letters · OSTI ID:1834384

Tian, Xinchun; Caruntu, Gabriel; Kavey, Benard; +1 more

Growth and self-assembly of BaTiO{sub 3} nanocubes for resistive switching memory cells

Journal Article · 2014 · Journal of Solid State Chemistry · OSTI ID:22334241

Chu, Dewei; Lin, Xi; Younis, Adnan; +3 more

Title: Temperature dependent local structure coherence of surface-modified BaTiO 3 nanocubes

Citation Formats

References (66)

Similar Records

Related Subjects

Title: Temperature dependent local structure coherence of surface-modified BaTiO ₃ nanocubes