In situ sol–gel preparation of ZrO 2 in nano-composite polymer electrolyte of PVDF-HFP/MG49 for lithium-ion polymer battery

Lee Tian Khoon, Mark Lee Wun Fui, Nur Hasyareeda Hassan, Mohd Sukor Su'ait, Raman Vedarajan, Noriyoshi Matsumi, Mohammad Bin Kassim, Kee Shyuan Loh, Azizan Ahmad

Research output: Contribution to journalArticle

Abstract

Abstract: Nano-composite polymer electrolyte (NCPE), poly(vinylidenefluoride-hexafluoropropylene)-poly(methylmethacrylate) grafted natural rubber with lithium tetrafluoroborate and zirconia (PVdF-HFP/MG49-LiBF 4 -ZrO 2 ) was prepared by a facile one-pot in situ sol–gel method. The influence of zirconia nano-fillers on the electrochemical, chemical and structural properties of polymer electrolyte was investigated. The interaction of polymer electrolyte and zirconia was explored via density functional theory (DFT). Electrochemical impedance spectroscopy study showed that the optimum ionic conductivity is 2.39 × 10 −3 S cm −1 (6 wt% zirconia). X-ray diffractogram results revealed a decreasing trend of crystalline phases and no lithium salt peaks were observed upon the addition of zirconia. As a result, the LiBF 4 salt was well-solvated in the polymer matrix with a one-fold increase in lithium transference number. Remarkably, a good electrochemical stability was achieved at 6.9 V from a linear sweep voltammetry (LSV) analysis. Observations from the infrared spectra indicate that chemical interactions occurred at the carbonyl and fluoride functional groups and is further corroborated by DFT studies. Micrograph images showed that the zirconia nano-particles were successfully produced (7–15 nm). The nanocomposite polymer electrolyte possesses promising charge/discharge performance and has the potential to be applied in lithium-ion polymer battery. [Figure not available: see fulltext.]

Original languageEnglish
JournalJournal of Sol-Gel Science and Technology
DOIs
Publication statusPublished - 1 Jan 2019

Fingerprint

Lithium
zirconium oxides
Zirconia
Electrolytes
electric batteries
Polymers
lithium
electrolytes
Ions
preparation
composite materials
Composite materials
polymers
ions
Density functional theory
Salts
Methylmethacrylate
density functional theory
salts
Rubber

Keywords

  • DFT
  • In situ sol–gel
  • Lithium-ion polymer battery
  • Nanocomposite polymer electrolyte
  • One pot preparation
  • Zirconia

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Biomaterials
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

In situ sol–gel preparation of ZrO 2 in nano-composite polymer electrolyte of PVDF-HFP/MG49 for lithium-ion polymer battery . / Khoon, Lee Tian; Fui, Mark Lee Wun; Hassan, Nur Hasyareeda; Su'ait, Mohd Sukor; Vedarajan, Raman; Matsumi, Noriyoshi; Bin Kassim, Mohammad; Loh, Kee Shyuan; Ahmad, Azizan.

In: Journal of Sol-Gel Science and Technology, 01.01.2019.

Research output: Contribution to journalArticle

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title = "In situ sol–gel preparation of ZrO 2 in nano-composite polymer electrolyte of PVDF-HFP/MG49 for lithium-ion polymer battery",
abstract = "Abstract: Nano-composite polymer electrolyte (NCPE), poly(vinylidenefluoride-hexafluoropropylene)-poly(methylmethacrylate) grafted natural rubber with lithium tetrafluoroborate and zirconia (PVdF-HFP/MG49-LiBF 4 -ZrO 2 ) was prepared by a facile one-pot in situ sol–gel method. The influence of zirconia nano-fillers on the electrochemical, chemical and structural properties of polymer electrolyte was investigated. The interaction of polymer electrolyte and zirconia was explored via density functional theory (DFT). Electrochemical impedance spectroscopy study showed that the optimum ionic conductivity is 2.39 × 10 −3 S cm −1 (6 wt{\%} zirconia). X-ray diffractogram results revealed a decreasing trend of crystalline phases and no lithium salt peaks were observed upon the addition of zirconia. As a result, the LiBF 4 salt was well-solvated in the polymer matrix with a one-fold increase in lithium transference number. Remarkably, a good electrochemical stability was achieved at 6.9 V from a linear sweep voltammetry (LSV) analysis. Observations from the infrared spectra indicate that chemical interactions occurred at the carbonyl and fluoride functional groups and is further corroborated by DFT studies. Micrograph images showed that the zirconia nano-particles were successfully produced (7–15 nm). The nanocomposite polymer electrolyte possesses promising charge/discharge performance and has the potential to be applied in lithium-ion polymer battery. [Figure not available: see fulltext.]",
keywords = "DFT, In situ sol–gel, Lithium-ion polymer battery, Nanocomposite polymer electrolyte, One pot preparation, Zirconia",
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T1 - In situ sol–gel preparation of ZrO 2 in nano-composite polymer electrolyte of PVDF-HFP/MG49 for lithium-ion polymer battery

AU - Khoon, Lee Tian

AU - Fui, Mark Lee Wun

AU - Hassan, Nur Hasyareeda

AU - Su'ait, Mohd Sukor

AU - Vedarajan, Raman

AU - Matsumi, Noriyoshi

AU - Bin Kassim, Mohammad

AU - Loh, Kee Shyuan

AU - Ahmad, Azizan

PY - 2019/1/1

Y1 - 2019/1/1

N2 - Abstract: Nano-composite polymer electrolyte (NCPE), poly(vinylidenefluoride-hexafluoropropylene)-poly(methylmethacrylate) grafted natural rubber with lithium tetrafluoroborate and zirconia (PVdF-HFP/MG49-LiBF 4 -ZrO 2 ) was prepared by a facile one-pot in situ sol–gel method. The influence of zirconia nano-fillers on the electrochemical, chemical and structural properties of polymer electrolyte was investigated. The interaction of polymer electrolyte and zirconia was explored via density functional theory (DFT). Electrochemical impedance spectroscopy study showed that the optimum ionic conductivity is 2.39 × 10 −3 S cm −1 (6 wt% zirconia). X-ray diffractogram results revealed a decreasing trend of crystalline phases and no lithium salt peaks were observed upon the addition of zirconia. As a result, the LiBF 4 salt was well-solvated in the polymer matrix with a one-fold increase in lithium transference number. Remarkably, a good electrochemical stability was achieved at 6.9 V from a linear sweep voltammetry (LSV) analysis. Observations from the infrared spectra indicate that chemical interactions occurred at the carbonyl and fluoride functional groups and is further corroborated by DFT studies. Micrograph images showed that the zirconia nano-particles were successfully produced (7–15 nm). The nanocomposite polymer electrolyte possesses promising charge/discharge performance and has the potential to be applied in lithium-ion polymer battery. [Figure not available: see fulltext.]

AB - Abstract: Nano-composite polymer electrolyte (NCPE), poly(vinylidenefluoride-hexafluoropropylene)-poly(methylmethacrylate) grafted natural rubber with lithium tetrafluoroborate and zirconia (PVdF-HFP/MG49-LiBF 4 -ZrO 2 ) was prepared by a facile one-pot in situ sol–gel method. The influence of zirconia nano-fillers on the electrochemical, chemical and structural properties of polymer electrolyte was investigated. The interaction of polymer electrolyte and zirconia was explored via density functional theory (DFT). Electrochemical impedance spectroscopy study showed that the optimum ionic conductivity is 2.39 × 10 −3 S cm −1 (6 wt% zirconia). X-ray diffractogram results revealed a decreasing trend of crystalline phases and no lithium salt peaks were observed upon the addition of zirconia. As a result, the LiBF 4 salt was well-solvated in the polymer matrix with a one-fold increase in lithium transference number. Remarkably, a good electrochemical stability was achieved at 6.9 V from a linear sweep voltammetry (LSV) analysis. Observations from the infrared spectra indicate that chemical interactions occurred at the carbonyl and fluoride functional groups and is further corroborated by DFT studies. Micrograph images showed that the zirconia nano-particles were successfully produced (7–15 nm). The nanocomposite polymer electrolyte possesses promising charge/discharge performance and has the potential to be applied in lithium-ion polymer battery. [Figure not available: see fulltext.]

KW - DFT

KW - In situ sol–gel

KW - Lithium-ion polymer battery

KW - Nanocomposite polymer electrolyte

KW - One pot preparation

KW - Zirconia

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