Ab initio study for structure, electric properties and light emission of linear-trans-quinacridone

Ab initio study for structure, electric properties and light emission of linear-trans-quinacridone

The structure, electric properties and emission rate of linear-trans-quinacridone are investigated within the density functional theory (DFT) calculations. We find the structure of the molecule to be planar with an energy gap of 3.06 eV. The emission lifetime from the lowest unoccupied molecular orb...

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Bibliographic Details
Main Authors: Susanto, Agus, Mozo, R., Muhida, Rifki, Kishi, Tomoya, Rahman, Md Mahmudur, Diño, Wilson Agerico, Dipojono, Hermawan Kresno, Kasai, Hideaki
Format: text
Published: Animo Repository 2006
Subjects:
Organic compounds
Organic compounds—Electric properties
Density functionals
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/3609
https://animorepository.dlsu.edu.ph/context/faculty_research/article/4611/type/native/viewcontent/e2006_00040_4.html
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/3609
https://animorepository.dlsu.edu.ph/context/faculty_research/article/4611/type/native/viewcontent/e2006_00040_4.html

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