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Volumn 160, Issue 13-14, 2010, Pages 1456-1462

A particularly strong organic acceptor for tuning the hole-injection barriers in modern organic devices

Author keywords

Band structure calculation; Interfaces; Organic electronics; Quantum mechanical modeling; Work function modification

Indexed keywords

ADSORPTION ENERGIES; AG(1 1 1); BAND STRUCTURE CALCULATION; ELECTRONIC DEVICE; END OF THE DAYS; F4-TCNQ; HOLE INJECTION BARRIERS; METAL WORK FUNCTION; METAL-ORGANIC INTERFACE; ORGANIC ACCEPTORS; ORGANIC DEVICES; ORGANIC ELECTRONICS; QUANTUM-MECHANICAL MODELING; TETRACYANOQUINODIMETHANE;

EID: 77953871534     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2010.05.004     Document Type: Article
Times cited : (10)

References (62)
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    • Ag(1 1 1) has proven itself to be the most reliable metal for analyzing metal/acceptor systems, adopting our theoretical approaches, in terms of agreement with the experiment
    • Ag(1 1 1) has proven itself to be the most reliable metal for analyzing metal/acceptor systems, adopting our theoretical approaches, in terms of agreement with the experiment.
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    • Note that expecially in Ref. [25] a detailed extensive study including an analysis of the origin of all the physical processes at the interface of F4TCNQ and Ag(1 1 1) can be found.
    • Note that expecially in Ref. [25] a detailed extensive study including an analysis of the origin of all the physical processes at the interface of F4TCNQ and Ag(1 1 1) can be found.
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    • Here we assume that the molecule and the metal are approximately 3 Å apart.
    • Here we assume that the molecule and the metal are approximately 3 Å apart.
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    • A biased geometry optimization where the cyano groups of the ring were manually placed bent towards the metal returned in the optimized structure shown in Fig. 3
    • A biased geometry optimization where the cyano groups of the ring were manually placed bent towards the metal returned in the optimized structure shown in Fig. 3.
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    • Note that such changes in orbital occupation can also be fractional
    • Note that such changes in orbital occupation can also be fractional.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.