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Organic photovoltaics: A charge tran...

Olguin, Marco Augusto.

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Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems./
作者:	Olguin, Marco Augusto.
面頁冊數:	110 p.
附註:	Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.
Contained By:	Dissertation Abstracts International75-01B(E).
標題:	Chemistry, General. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3594440
ISBN:	9781303386299

Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems.
Olguin, Marco Augusto.

Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems. - 110 p.

Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.

Thesis (Ph.D.)--The University of Texas at El Paso, 2013.

The present research involves the study of donor-acceptor (D/A) dyad complexes from a charge transfer energy perspective. The aim is to provide insight and predictive understanding into the charge transfer processes of the molecular-level components in donor-acceptor based organic solar cells using computational methods to describe photochemical processes at the quantum mechanical level within the Density Functional Theory (DFT) approximation. Predictive understanding is anchored in reproducing experimental results, wherein the present work a perturbative excited-state DFT method is described in detail and shown to give Charge Transfer (CT) energies in excellent agreement with benchmark experimental data. With an accurate excited state method for calculating CT excitation energies at hand, the present research applies the method to the study of D/A pairs employed in photovoltaic devices. An examination is made of the effect on the CT energetics of varying the donor and acceptor component in the dyad and the changes in the frontier orbital energy levels and CT energies with respect to a varying D/A distance and D/A relative orientation. The results of the perturbative excited state DFT calculations provide direct insight into photovoltaic device efficiency since the CT energy determines the achievable open circuit voltage of a donor-acceptor based organic solar cell device.

ISBN: 9781303386299Subjects--Topical Terms:

1021807
Chemistry, General.

Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems.
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