Capturing Lost Photons: Chemical Design Principles to Model Near-Infrared Absorbing Organic Dyes

A.K. Narsaria

Research output: PhD ThesisPhD Thesis - Research VU Amsterdam, graduation VU Amsterdam

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Original languageEnglish
QualificationPhD
Awarding Institution
  • Vrije Universiteit Amsterdam
Supervisors/Advisors
  • Bickelhaupt, FM, Supervisor
  • Lammertsma, Koop, Supervisor
  • Fonseca Guerra, C, Co-supervisor
  • Ehlers, A.W., Co-supervisor
Award date18 Jun 2020
Publication statusPublished - 2020

Keywords

  • Solar Energy; Organic Dye; Near-Infrared Absorption; Design Principles; Bonding Mechanism
  • HOMO–LUMO gap; Activation Strain Model
  • Computational Design; Density Functional Theory
  • Time-Dependent Density Functional Theory; Rational Design; Cycloaddition

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