Band gap analysis and correlation with glass structure in phosphate glasses melted with various allotropes of carbon

Mariana Sendova, José A. Jiménez

Research output: Contribution to journalArticlepeer-review

Abstract

A rigorous numerical optical band gap analysis is presented regarding the enhanced ultraviolet light transmission realized for barium-phosphate glasses melted with graphite, multi-wall carbon nanotubes, and nano-diamond powder. The study entails a comparative assessment wherein optimal ultraviolet transparencies were achieved. It is proposed that based on the principle of superposition, the optical absorption spectra of carbon-doped glasses may be considered as solid solutions of the host matrix and an optimal carbon-doped matrix with characteristic P[sbnd]O[sbnd]C bonds. 31P nuclear magnetic resonance (NMR) was employed for structural analysis to evaluate the relative content of the PO4 tetrahedra with two (Q2) and one (Q1) bridging oxygens. Further, the Q2/Q1 ratio from 31P NMR data was correlated with the Urbach energy. In the carbon-doped metaphosphate system, the widening of the band gap can be attributed to a decreased matrix polarizability, structurally promoted by decreased concentration of the non-bridging oxygens in agreement with the effects associated with decreased optical basicity of the matrix.

Original languageEnglish (US)
Article number111207
JournalChemical Physics
Volume547
DOIs
StatePublished - Jul 1 2021

Keywords

  • Glasses
  • Melting
  • Optical properties
  • Structural properties

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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