東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Organic photovoltaics: A charge tran...

Olguin, Marco Augusto.

Linked to FindBook

Google Book

Amazon

博客來

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

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems./
Author:	Olguin, Marco Augusto.
Description:	110 p.
Notes:	Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.
Contained By:	Dissertation Abstracts International75-01B(E).
Subject:	Chemistry, General. -
Online resource:	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.
LDR:02353nam a2200301 4500 001 1967891
005 20141121132939.5
008 150210s2013 ||||||||||||||||| ||eng d
020 $a 9781303386299
035 $a (MiAaPQ)AAI3594440
035 $a AAI3594440
040 $a MiAaPQ $c MiAaPQ
100 1 $a Olguin, Marco Augusto. $3 2104982
245 1 0 $a Organic photovoltaics: A charge transfer perspective in the study of donor-acceptor systems.
300 $a 110 p.
500 $a Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.
500 $a Advisers: Tunna Baruah; Rajendra R. Zope.
502 $a Thesis (Ph.D.)--The University of Texas at El Paso, 2013.
520 $a 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.
590 $a School code: 0459.
650 4 $a Chemistry, General. $3 1021807
650 4 $a Chemistry, Physical. $3 560527
650 4 $a Physics, Optics. $3 1018756
650 4 $a Alternative Energy. $3 1035473
690 $a 0485
690 $a 0494
690 $a 0752
690 $a 0363
710 2 $a The University of Texas at El Paso. $b Computational Science. $3 2104983
773 0 $t Dissertation Abstracts International $g 75-01B(E).
790 $a 0459
791 $a Ph.D.
792 $a 2013
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3594440