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

A.K. Narsaria

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

A.K. Narsaria

AIMMS

Research output: PhD Thesis › PhD-Thesis - Research and graduation internal

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Original language	English
Qualification	PhD
Awarding Institution	Vrije Universiteit Amsterdam
Supervisors/Advisors	Bickelhaupt, Matthias, Supervisor Lammertsma, Koop, Supervisor Fonseca Guerra, Celia, Co-supervisor Ehlers, A.W., Co-supervisor
Award date	18 Jun 2020
Publication status	Published - 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

Access to Document

coverFinal published version, 5.38 MB
title pageFinal published version, 13.4 KB
abstract dutchFinal published version, 109 KB
abstract englishFinal published version, 109 KB
table of contentsFinal published version, 89 KB
complete dissertationFinal published version, 15.9 MB

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Cite this

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title = "Capturing Lost Photons: Chemical Design Principles to Model Near-Infrared Absorbing Organic Dyes",

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",

author = "A.K. Narsaria",

year = "2020",

language = "English",

type = "PhD-Thesis - Research and graduation internal",

school = "Vrije Universiteit Amsterdam",

}

TY - THES

T1 - Capturing Lost Photons

T2 - Chemical Design Principles to Model Near-Infrared Absorbing Organic Dyes

AU - Narsaria, A.K.

PY - 2020

Y1 - 2020

KW - Solar Energy; Organic Dye; Near-Infrared Absorption; Design Principles; Bonding Mechanism

KW - HOMO–LUMO gap; Activation Strain Model

KW - Computational Design; Density Functional Theory

KW - Time-Dependent Density Functional Theory; Rational Design; Cycloaddition

M3 - PhD-Thesis - Research and graduation internal

ER -