• 文献标题:   Local structural investigations of graphitic ZnO and reduced graphene oxide composite
  • 文献类型:   Article
  • 作  者:   YADAV AK, PADMA N, GHORAI G, SAHOO PK, RAO R, BANARJEE S, RAJARAJAN AK, KUMAR P, JHA SN, BHATTACHARYYA D
  • 作者关键词:   graphitic zno, polarization dependent xas, dft optimize structure
  • 出版物名称:   APPLIED SURFACE SCIENCE
  • ISSN:   0169-4332 EI 1873-5584
  • 通讯作者地址:  
  • 被引频次:   6
  • DOI:   10.1016/j.apsusc.2021.150548 EA JUL 2021
  • 出版年:   2021

▎ 摘  要

Reduced graphene oxide (rGO) assisted two-dimensional (2D) graphitic ZnO (gZnO) have been prepared and characterized by Raman, FTIR, Cross-sectional high resolution transmission electron microscopy (HRTEM) and X-ray absorption spectroscopy (XAS) techniques comprising of X-ray near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements. Raman spectroscopy and FTIR measurements suggest formation of ZnO and the same has been corroborated by XANES measurements. HRTEM and polarization dependent XANES measurements with two different sample orientations confirm the formation of gZnO/rGO sandwiched layers. Density Functional Theory simulated relaxed initial structure of bilayers of gZnO sandwiched between successive rGO layers fits the EXAFS data reasonably well, supported by formation energy calculations which indicate better stability for samples having bilayers to a few layers of gZnO between rGO layers than with monolayer. These relaxed structures also help to understand the electronic structure contributing in XANES spectrum, with the help of ligand field theory.