Contribution of stilbene-imine additives on the structural, ionic conductivity performance and theoretical evaluation on CMC-based biopolymer electrolytes

Rafizah Rahamathullah; Wan M Khairul; M I N Isa

doi:10.1016/j.carbpol.2020.116935

Contribution of stilbene-imine additives on the structural, ionic conductivity performance and theoretical evaluation on CMC-based biopolymer electrolytes

Carbohydr Polym. 2020 Dec 15:250:116935. doi: 10.1016/j.carbpol.2020.116935. Epub 2020 Aug 20.

Authors

Rafizah Rahamathullah¹, Wan M Khairul², M I N Isa³

Affiliations

¹ Advanced Nano Materials (AnoMa), Faculty of Science and Marine Environment, Universiti Malaysia Terengganu, 21030 Kuala Nerus, Terengganu, Malaysia; Faculty of Engineering Technology, Universiti Malaysia Perlis, Level 1, Block S2, UniCITI Alam Campus, Sungai Chuchuh, Padang Besar, 02100, Perlis, Malaysia.
² Advanced Nano Materials (AnoMa), Faculty of Science and Marine Environment, Universiti Malaysia Terengganu, 21030 Kuala Nerus, Terengganu, Malaysia. Electronic address: wmkhairul@umt.edu.my.
³ Energy Storage Research, Frontier of Materials Research Group, Advanced Materials Team, Ionic & Kinetic Materials Research (IKMaR) Laboratory, Faculty of Science and Technology, Universiti Sains Islam Malaysia, Bandar Baru Nilai, 71800, Nilai, Negeri Sembilan, Malaysia.

PMID: 33049847
DOI: 10.1016/j.carbpol.2020.116935

Abstract

New solid biopolymer electrolytes (SBEs) were prepared by integrating stilbene-imine derivatives bearing vinylene (CHCH) and azomethine (CHN) as additives in carboxymethyl cellulose (CMC) based electrolyte. The investigation on their spectroscopic and theoretical assessments were conducted to alter the energy level in improving the structural and ionic conductivity performance. The simulated results from frontier molecular orbitals (FMO) and Mulliken-charge analysis revealed that -CF₃ and -NO₂ substituents significantly reduce the HOMO-LUMO gap up to 0.68 eV. The highest ionic conductivity of SBEs achieved at ambient temperature was ∼8 × 10^-3 Scm^-1 upon the addition of additive, obeying an Arrhenius model with reciprocal of temperature (303 K-373 K). The coordination interaction of CO bond and CHN band facilitated the dissociation of more cation (H⁺) of NH₄Cl which permits alternative route for H⁺ to hop into coordinating site in CMC. The outcomes are ideal in the development of electrochemical devices.

Keywords: Additive; Carboxymethyl cellulose; DFT; Solid polymer electrolyte; Stilbene-imine.