Influence of molecular conformation on organic/metal interface energetics

被引：63

作者：

Koch, N

Heimel, G

Wu, JS

Zojer, E

Johnson, RL

Brédas, JL

Müllen, K

Rabe, JP

机构：

[1] Humboldt Univ, Inst Phys, Dept Phys, D-12489 Berlin, Germany

[2] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[3] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA

[4] Max Planck Inst Polymer Res, D-55021 Mainz, Germany

[5] Univ Hamburg, Inst Experimentalphys, D-22761 Hamburg, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 413卷 / 4-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2005.08.004

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using ultraviolet photoemission spectroscopy (UPS), we show that the conformation of a conjugated organic molecule can be changed significantly upon adsorption on a metal surface, even in the case of weak interactions with the metal. This is accomplished by comparing the thickness-dependent spectral evolution for a non-rigid non-planar molecule (p-sexiphenyl) deposited onto Ag(111), with those of a coplanar molecule (alpha-sexithienyl) and a rigid non-planar one (1,3,4,6,7,9,10,12,13,15,16,18-dodecamethyl-hexa-peri-hexabenzocoronene). Molecular conformation changes can influence hole injection barriers by at least 0.1 eV. These results have a direct impact on the detailed understanding of organic/metal interfaces. (c) 2005 Elsevier B.V. All rights reserved.

引用

收藏

页码：390 / 395

页数：6

相关论文

共 30 条

[1] Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters:: The mPW and mPW1PW models [J].

Adamo, C ;

Barone, V .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (02) :664-675

[2] STRUCTURE AND BARRIER OF INTERNAL-ROTATION OF BIPHENYL DERIVATIVES IN THE GASEOUS STATE .1. THE MOLECULAR-STRUCTURE AND NORMAL COORDINATE ANALYSIS OF NORMAL BIPHENYL AND PERDEUTERATED BIPHENYL [J].

ALMENNINGEN, A ;

BASTIANSEN, O ;

FERNHOLT, L ;

CYVIN, BN ;

CYVIN, SJ ;

SAMDAL, S .

JOURNAL OF MOLECULAR STRUCTURE, 1985, 128 (1-3) :59-76

[3] STRUCTURAL PHASE-TRANSITION IN POLYPHENYLS .10. POTENTIAL BARRIER HEIGHTS IN CRYSTALLINE POLYPHENYLS AND IN GASEOUS BIPHENYL DETERMINED UNIQUELY FROM DIFFRACTION DATA [J].

BAUDOUR, JL .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1991, 47 :935-949

[4] STRUCTURAL PHASE-TRANSITION IN POLYPHENYLS .4. DOUBLE-WELL POTENTIAL IN DISORDERED PHASE OF P-TERPHENYL FROM NEUTRON (200 K) AND X-RAY (ROOM-TEMPERATURE) DIFFRACTION DATA [J].

BAUDOUR, JL ;

CAILLEAU, H ;

YELON, WB .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (JUN15) :1773-1780

[5] STRUCTURAL PHASE-TRANSITION IN POLYPHENYLS .6. CRYSTAL-STRUCTURE OF LOW-TEMPERATURE ORDERED PHASE OF PARA-QUATERPHENYL AT 110 K [J].

BAUDOUR, JL ;

DELUGEARD, Y ;

RIVET, P .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (FEB) :625-628

[6]

BITTENCOURT C, COMMUNICATION

[7] Probing the conformation of physisorbed molecules at the atomic scale using STM manipulation [J].

Braun, KF ;

Hla, SW .

NANO LETTERS, 2005, 5 (01) :73-76

[8] ORGANIC POLYMERS BASED ON AROMATIC RINGS (POLYPARAPHENYLENE, POLYPYRROLE, POLYTHIOPHENE) - EVOLUTION OF THE ELECTRONIC-PROPERTIES AS A FUNCTION OF THE TORSION ANGLE BETWEEN ADJACENT RINGS [J].

BREDAS, JL ;

STREET, GB ;

THEMANS, B ;

ANDRE, JM .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (03) :1323-1329

[9] Characterization of the interface dipole at organic/metal interfaces [J].

Crispin, X ;

Geskin, V ;

Crispin, A ;

Cornil, J ;

Lazzaroni, R ;

Salaneck, WR ;

Brédas, JL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (27) :8131-8141

[10] Interplay between morphology, structure, and electronic properties at diindenoperylene-gold interfaces -: art. no. 115428 [J].

Dürr, AC ;

Koch, N ;

Kelsch, M ;

Rühm, A ;

Ghijsen, J ;

Johnson, RL ;

Pireaux, JJ ;

Schwartz, J ;

Schreiber, F ;

Dosch, H ;

Kahn, A .

PHYSICAL REVIEW B, 2003, 68 (11)