Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate

Michael Wells; Jacob Hempel; Nima Karitimari; Youselie Joseph; Syed Joy; Ethan Baker; Alexander A. Puretzky; Md Imran Noor; Kenneth Graham; Paul F. Rottmann; Yang Tse Cheng; Sean R. Parkin; Christopher A. Sutton; Aron Joel Huckaba

doi:10.1021/acsaem.3c03279

Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate

Michael Wells
, Jacob Hempel
, Nima Karitimari
, Youselie Joseph
, Syed Joy
, Ethan Baker
, Alexander A. Puretzky
, Md Imran Noor
, Kenneth Graham
, Paul F. Rottmann
, Yang Tse Cheng
, Sean R. Parkin
, Christopher A. Sutton
, Aron Joel Huckaba

Functional Hybrid Nanomaterials

Research output: Contribution to journal › Review article › peer-review

Abstract

Using mixtures of A, B, or X site ions in piezoelectric hybrid organic inorganic materials has been shown to be an effective strategy to improve piezoelectric properties. Here, we investigated the effect of increasing Br content within histammonium tetrachlorozincate [HistNH3Zn(Cl_xBr_1-x)4] by varying the relative amounts of Cl and Br from x = 0% to 100% on nonlinear optical and piezoelectric properties. We found that the crystal structures were unchanged with Br percentages up to 100%, but the melting point of the materials changed substantially with increasing Br content. On the other hand, the nonlinear optical properties were only moderately affected with increasing Br content. The piezoelectric response of each material was measured and compared with DFT calculated values, both of which agreed that the overall the materials had relatively similar d₃₃ coefficients. The x = 75% Br compound had the largest magnitude d₃₃ value at maximum strain at both 29 °C (−97.56 pm/V) and 40 °C (−92.00 pm/V). The observed negative piezoelectric response is a rare trait that was ascribed to the large number of intermolecular interactions between lattice elements, as described by others.

Original language	English
Pages (from-to)	11411-11422
Number of pages	12
Journal	ACS Applied Energy Materials
Volume	7
Issue number	24
DOIs	https://doi.org/10.1021/acsaem.3c03279
State	Published - Dec 23 2024

Funding

A.H. acknowledges startup funds from the University of Kentucky. This material is based upon work supported by the National Science Foundation under Cooperative Agreement No. 1849213. Part of SHG measurements were supported by the Center for Nanophase Materials Sciences (CNMS), which is a U.S. Department of Energy, Office of Science, User Facility at Oak Ridge National Laboratory. Other parts of SHG measurements were performed at University of Kentucky, with acknowledgement of funding from the Office of Vice President for Research (OVPR). This work was performed in part at the U.K. Electron Microscopy Center, a member of the National Nanotechnology Coordinated Infrastructure (NNCI), which is supported by the National Science Foundation (NNCI-2025075). This publication was supported by the University of Kentucky Materials Science Research Priority Area. C.S. acknowledges funds from the University of South Carolina and AFOSR (20IOE044).

Keywords

halide mixing
hybrid materials
low symmetry materials
noncentrosymmetric materials
nonlinear optics
piezoelectrics

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10.1021/acsaem.3c03279

Cite this

Wells, M., Hempel, J., Karitimari, N., Joseph, Y., Joy, S., Baker, E., Puretzky, A. A., Noor, M. I., Graham, K., Rottmann, P. F., Cheng, Y. T., Parkin, S. R., Sutton, C. A., & Huckaba, A. J. (2024). Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate. ACS Applied Energy Materials, 7(24), 11411-11422. https://doi.org/10.1021/acsaem.3c03279

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title = "Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate",

abstract = "Using mixtures of A, B, or X site ions in piezoelectric hybrid organic inorganic materials has been shown to be an effective strategy to improve piezoelectric properties. Here, we investigated the effect of increasing Br content within histammonium tetrachlorozincate [HistNH3Zn(ClxBr1-x)4] by varying the relative amounts of Cl and Br from x = 0\% to 100\% on nonlinear optical and piezoelectric properties. We found that the crystal structures were unchanged with Br percentages up to 100\%, but the melting point of the materials changed substantially with increasing Br content. On the other hand, the nonlinear optical properties were only moderately affected with increasing Br content. The piezoelectric response of each material was measured and compared with DFT calculated values, both of which agreed that the overall the materials had relatively similar d33 coefficients. The x = 75\% Br compound had the largest magnitude d33 value at maximum strain at both 29 °C (−97.56 pm/V) and 40 °C (−92.00 pm/V). The observed negative piezoelectric response is a rare trait that was ascribed to the large number of intermolecular interactions between lattice elements, as described by others.",

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author = "Michael Wells and Jacob Hempel and Nima Karitimari and Youselie Joseph and Syed Joy and Ethan Baker and Puretzky, \{Alexander A.\} and Noor, \{Md Imran\} and Kenneth Graham and Rottmann, \{Paul F.\} and Cheng, \{Yang Tse\} and Parkin, \{Sean R.\} and Sutton, \{Christopher A.\} and Huckaba, \{Aron Joel\}",

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doi = "10.1021/acsaem.3c03279",

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T1 - Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate

AU - Wells, Michael

AU - Hempel, Jacob

AU - Karitimari, Nima

AU - Joseph, Youselie

AU - Joy, Syed

AU - Baker, Ethan

AU - Puretzky, Alexander A.

AU - Noor, Md Imran

AU - Graham, Kenneth

AU - Rottmann, Paul F.

AU - Cheng, Yang Tse

AU - Parkin, Sean R.

AU - Sutton, Christopher A.

AU - Huckaba, Aron Joel

PY - 2024/12/23

Y1 - 2024/12/23

N2 - Using mixtures of A, B, or X site ions in piezoelectric hybrid organic inorganic materials has been shown to be an effective strategy to improve piezoelectric properties. Here, we investigated the effect of increasing Br content within histammonium tetrachlorozincate [HistNH3Zn(ClxBr1-x)4] by varying the relative amounts of Cl and Br from x = 0% to 100% on nonlinear optical and piezoelectric properties. We found that the crystal structures were unchanged with Br percentages up to 100%, but the melting point of the materials changed substantially with increasing Br content. On the other hand, the nonlinear optical properties were only moderately affected with increasing Br content. The piezoelectric response of each material was measured and compared with DFT calculated values, both of which agreed that the overall the materials had relatively similar d33 coefficients. The x = 75% Br compound had the largest magnitude d33 value at maximum strain at both 29 °C (−97.56 pm/V) and 40 °C (−92.00 pm/V). The observed negative piezoelectric response is a rare trait that was ascribed to the large number of intermolecular interactions between lattice elements, as described by others.

AB - Using mixtures of A, B, or X site ions in piezoelectric hybrid organic inorganic materials has been shown to be an effective strategy to improve piezoelectric properties. Here, we investigated the effect of increasing Br content within histammonium tetrachlorozincate [HistNH3Zn(ClxBr1-x)4] by varying the relative amounts of Cl and Br from x = 0% to 100% on nonlinear optical and piezoelectric properties. We found that the crystal structures were unchanged with Br percentages up to 100%, but the melting point of the materials changed substantially with increasing Br content. On the other hand, the nonlinear optical properties were only moderately affected with increasing Br content. The piezoelectric response of each material was measured and compared with DFT calculated values, both of which agreed that the overall the materials had relatively similar d33 coefficients. The x = 75% Br compound had the largest magnitude d33 value at maximum strain at both 29 °C (−97.56 pm/V) and 40 °C (−92.00 pm/V). The observed negative piezoelectric response is a rare trait that was ascribed to the large number of intermolecular interactions between lattice elements, as described by others.

KW - halide mixing

KW - hybrid materials

KW - low symmetry materials

KW - noncentrosymmetric materials

KW - nonlinear optics

KW - piezoelectrics

UR - https://www.scopus.com/pages/publications/85201162794

U2 - 10.1021/acsaem.3c03279

DO - 10.1021/acsaem.3c03279

M3 - Review article

AN - SCOPUS:85201162794

SN - 2574-0962

VL - 7

SP - 11411

EP - 11422

JO - ACS Applied Energy Materials

JF - ACS Applied Energy Materials

IS - 24

ER -

Ramifications of X-Site Ion Modification in a Zero-Dimensional Piezoelectric Tetrahalozincate

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