Structure and theoretical infrared spectra of OH defects in quartz

Volume: 32, Issue: 3, Pages: 311 - 323
Published: Jun 4, 2020
Abstract
. The infrared spectra of natural quartz, and synthetic quartz produced in conditions relevant to natural environments, generally contain some association of OH-stretching absorption bands at 3596, 3585, 3483, 3431, 3379 and 3313 cm−1, and/or a broad band at ∼ 3400 cm−1. In this study, a series of OH-bearing defects has been theoretically investigated from first principles within the density functional theory framework. The optimized structure,...
Paper Details
Title
Structure and theoretical infrared spectra of OH defects in quartz
Published Date
Jun 4, 2020
Volume
32
Issue
3
Pages
311 - 323
Citation AnalysisPro
  • Scinapse’s Top 10 Citation Journals & Affiliations graph reveals the quality and authenticity of citations received by a paper.
  • Discover whether citations have been inflated due to self-citations, or if citations include institutional bias.