Structure of phytic acid functionalized graphene oxide prepared by hydrothermal method based on aqueous species distribution and the hard-soft acid-base theory

Abstract

Phytic acid functionalized graphene oxide (PA-GO) has encouraging application in environmental treatment. Herein, structure of PA-GO fabricated by hydrothermal method was inspected. Firstly, the aqueous species distribution and ionization states of phytic acid (PA) and graphene oxide (GO) under varying pH was analyzed according to equilibrium thermodynamics to clarify the primary interacting species involved in PA-GO fabrication. Secondly, the hard-soft acid-base (HSAB) theory and spectroscopic characterizations (XPS, FTIR, Raman, UV–Vis and fluorescent spectra) were employed to elucidate the plausible interactions existing in PA-GO. Thermodynamic deduction indicates, C6H6O24P612- is the dominant species of PA, while –OH and –COO- are the dominant state of graphene oxide groups in PA-GO fabrication system. HSAB theory illuminates, the primary interactions occurs between deprotonated oxygen O(O-) and bridged oxygen O(-O-) of phytic acid with hydroxyl group O(Ar-OH) and π electron of graphene oxide. Moreover, electron flows from GO towards PA to induce energy lowering whereby PA-GO is stabilized. HSAB theory prediction was substantiated by spectroscopic analyses. Furthermore, PA-GO efficiently removes ionic dyes in five consecutive cycles with high adsorption capacity. This work may shed light on the fabrication chemistry of PA-GO framework serving as a potential adsorbent.