Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

0333819 - ÚFCH JH 2010 RIV DE eng J - Journal Article
Šebera, Jakub - Nešpůrek, Stanislav - Kratochvílová, Irena - Záliš, Stanislav - Chaidogiannos, G. - Glezos, N.
Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations.
[Určení pohyblivosti náboje pro sulfonované a nesulfonované Ni-ftalocyaniny: experiment a kvantově-chemické výpočty.]
European Physical Journal B. Roč. 72, č. 3 (2009), s. 385-395. ISSN 1434-6028. E-ISSN 1434-6036
R&D Projects: GA MŠMT OC 139; GA MŠMT OC 137; GA AV ČR KAN401770651; GA AV ČR KAN200100801; GA ČR GA203/08/1594; GA MŠMT OC 138
Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40500505; CEZ:AV0Z10100520
Keywords : Ni Phthalocyanines * chemical calculations * polymers
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.466, year: 2009

The objective of this interdisciplinary paper was to study theoretically and experimentally the electronic part of charge carrier transport in the class of sodium salts of sulphonated Ni phthalocyanine as candidates for p-type channels in organic field-effect transistors. These materials were selected because of their enhanced solubility as compared to their non-sulphonated counterparts. The values of the field-effect charge carrier mobility determined on the OFET structures using NiPc(SO3Na)x films were much higher than the charge carrier mobility obtained on the respective device prepared from non-substituted phthalocyanine. In order to explain differences between charge carrier mobility of sulphonated and non-sulphonated Ni phthalocyanines, quantum chemistry studies of molecular aggregates were performed.

Cílem tohoto interdisciplinárního článku bylo studovat experimentálně a teoreticky elektronovou část pohyblivosti náboje sulfonovaných a nesulfonovaných Ni-ftalocyaninů. Pozorovaná pohyblivost náboje v případě NiPc(SO3Na)x byla mnohem vyšší než v případě samotného nesubstituovaného NiPc. K vysvětlení tohoto pozoruhodného efektu byly použity techniky kvantové chemie (DFT metody).
Permanent Link: http://hdl.handle.net/11104/0178722