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Title: Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment

Here, crystallization by particle attachment is impacting our understanding of natural mineralization processes and holds promise for novel materials design. When particles assemble in crystallographic registry, expulsion of the intervening solvent and particle coalescence is enabled by near-perfect co-alignment via interparticle forces that remain poorly quantified. Here we report measurement and simulation of these nanoscale aligning forces for the ZnO(0001)-ZnO(000¯1) system in aqueous solution. Dynamic force spectroscopy using nanoengineered single crystal probes reveals an attractive force with 60o rotational periodicity. Calculated distance and orientation-dependent potentials of mean force show several attractive free energy wells distinguished by numbers of intervening water layers, which reach a minimum when aligned. The calculated activation energy to separate the attractively bound solvated interfaces perfectly reproduces the measured 60o periodicity, revealing the key role of intervening water structuring as a basis to generate the interparticle torque that completes alignment and enables coalescence.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [1] ; ORCiD logo [1] ;  [1] ;  [1]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Report Number(s):
PNNL-SA-127665
Journal ID: ISSN 2041-1723; 49383; 47824; KC0302060
Grant/Contract Number:
AC05-76RL01830
Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Environmental Molecular Sciences Laboratory
OSTI Identifier:
1414550

Zhang, X., Shen, Z., Liu, J., Kerisit, S. N., Bowden, M. E., Sushko, M. L., De Yoreo, J. J., and Rosso, Kevin M.. Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment. United States: N. p., Web. doi:10.1038/s41467-017-00844-6.
Zhang, X., Shen, Z., Liu, J., Kerisit, S. N., Bowden, M. E., Sushko, M. L., De Yoreo, J. J., & Rosso, Kevin M.. Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment. United States. doi:10.1038/s41467-017-00844-6.
Zhang, X., Shen, Z., Liu, J., Kerisit, S. N., Bowden, M. E., Sushko, M. L., De Yoreo, J. J., and Rosso, Kevin M.. 2017. "Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment". United States. doi:10.1038/s41467-017-00844-6. https://www.osti.gov/servlets/purl/1414550.
@article{osti_1414550,
title = {Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment},
author = {Zhang, X. and Shen, Z. and Liu, J. and Kerisit, S. N. and Bowden, M. E. and Sushko, M. L. and De Yoreo, J. J. and Rosso, Kevin M.},
abstractNote = {Here, crystallization by particle attachment is impacting our understanding of natural mineralization processes and holds promise for novel materials design. When particles assemble in crystallographic registry, expulsion of the intervening solvent and particle coalescence is enabled by near-perfect co-alignment via interparticle forces that remain poorly quantified. Here we report measurement and simulation of these nanoscale aligning forces for the ZnO(0001)-ZnO(000¯1) system in aqueous solution. Dynamic force spectroscopy using nanoengineered single crystal probes reveals an attractive force with 60o rotational periodicity. Calculated distance and orientation-dependent potentials of mean force show several attractive free energy wells distinguished by numbers of intervening water layers, which reach a minimum when aligned. The calculated activation energy to separate the attractively bound solvated interfaces perfectly reproduces the measured 60o periodicity, revealing the key role of intervening water structuring as a basis to generate the interparticle torque that completes alignment and enables coalescence.},
doi = {10.1038/s41467-017-00844-6},
journal = {Nature Communications},
number = 1,
volume = 8,
place = {United States},
year = {2017},
month = {10}
}

Works referenced in this record:

Complex and oriented ZnO nanostructures
journal, November 2003
  • Tian, Zhengrong R.; Voigt, James A.; Liu, Jun
  • Nature Materials, Vol. 2, Issue 12, p. 821-826
  • DOI: 10.1038/nmat1014

Imperfect Oriented Attachment: Dislocation Generation in Defect-Free Nanocrystals
journal, August 1998

DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
journal, June 1996