Ordering of Poly(3-hexylthiophene) Nanocrystallites on the Basis of Substrate Surface Energy

被引：57

作者：

Meredig, Bryce ^{[1
]}

Salleo, Alberto ^{[2
]}

Gee, Richard ^{[1
]}

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA

[2] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA

来源：

ACS NANO | 2009年 / 3卷 / 10期

基金：

美国国家科学基金会;

关键词：

OTFT; P3HT; morphology; ordering; molecular dynamics; OTS; substrate; FIELD-EFFECT MOBILITY; CHARGE-TRANSPORT; REGIOREGULAR POLYTHIOPHENE; FILM MORPHOLOGY; THIN-FILMS; PERFORMANCE; TRANSISTORS; ENHANCEMENT; MONOLAYERS;

D O I：

10.1021/nn800707z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics simulations are used to study the influence of functionalized substrates on the orientation of poly(3-hexylthiophene) (P3HT) nanocrystallites, which in turn plays a critical role in P3HT-based transistor performance. The effects of alkyl-trichlorosilane self-assembled monolayer packing density, packing order, and end-group functionality are independently investigated. Across these factors, the potential energy surface presented by the substrate to the P3HT molecules is determined to be the main driver of P3HT ordering. Surprisingly, disordered substrates with a smoothly varying potential energy landscape are found to encourage edge-on P3HT orientation while highly ordered substrates have undesirable potential energy wells that reduce the edge-on orientation of P3HT because of substrate-side-chain interactions.

引用

页码：2881 / 2886

页数：6

共 36 条

[1]

Allen M. P., 1989, Computer Simulation of Liquids, DOI DOI 10.1007/BF00646086

[2] SILANIZATION OF SOLID SUBSTRATES - A STEP TOWARD REPRODUCIBILITY [J].

BRZOSKA, JB ;

BENAZOUZ, I ;

RONDELEZ, F .

LANGMUIR, 1994, 10 (11) :4367-4373

[3] Connecting electrical and molecular properties of semiconducting polymers for thin-film transistors [J].

Chabinyc, Michael L. ;

Jimison, Leslie H. ;

Rivnay, Jonathan ;

Salleo, Alberto .

MRS BULLETIN, 2008, 33 (07) :683-689

[4] Effects of the surface roughness of plastic-compatible inorganic dielectrics on polymeric thin film transistors [J].

Chabinyc, Michael L. ;

Lujan, Rene ;

Endicott, Fred ;

Toney, Michael F. ;

McCulloch, Iain ;

Heeney, Martin .

APPLIED PHYSICS LETTERS, 2007, 90 (23)

[5] Lamination method for the study of interfaces in polymeric thin film transistors [J].

Chabinyc, ML ;

Salleo, A ;

Wu, YL ;

Liu, P ;

Ong, BS ;

Heeney, M ;

McCulloch, I .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (43) :13928-13929

[6] Enhanced mobility of poly(3-hexylthiophene) transistors by spin-coating from high-boiling-point solvents [J].

Chang, JF ;

Sun, BQ ;

Breiby, DW ;

Nielsen, MM ;

Sölling, TI ;

Giles, M ;

McCulloch, I ;

Sirringhaus, H .

CHEMISTRY OF MATERIALS, 2004, 16 (23) :4772-4776

[7] General observation of n-type field-effect behaviour in organic semiconductors [J].

Chua, LL ;

Zaumseil, J ;

Chang, JF ;

Ou, ECW ;

Ho, PKH ;

Sirringhaus, H ;

Friend, RH .

NATURE, 2005, 434 (7030) :194-199

[8] High carrier mobility polythiophene thin films: Structure determination by experiment and theory [J].

DeLongchamp, Dean M. ;

Kline, R. Joseph ;

Lin, Eric K. ;

Fischer, Daniel A. ;

Richter, Lee J. ;

Lucas, Leah A. ;

Heeney, Martin ;

McCulloch, Iain ;

Northrup, John E. .

ADVANCED MATERIALS, 2007, 19 (06) :833-+

[9]

Hockney R. W, 1981, Computer Simulation Using Particles

[10] Crystalline Ultrasmooth Self-Assembled Monolayers of Alkylsilanes for Organic Field-Effect Transistors [J].

Ito, Yutaka ;

Virkar, Ajay A. ;

Mannsfeld, Stefan ;

Oh, Joon Hak ;

Toney, Michael ;

Locklin, Jason ;

Bao, Zhenan .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (26) :9396-9404

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