Molecular arrangements in the first monolayer of Cu-phthalocyanine on In2O3(111)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F26%3A0198673" target="_blank" >RIV/00216305:26620/26:0198673 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.rsc.org/en/content/articlelanding/2025/tc/d5tc01394a" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2025/tc/d5tc01394a</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d5tc01394a" target="_blank" >10.1039/d5tc01394a</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular arrangements in the first monolayer of Cu-phthalocyanine on In2O3(111)

Popis výsledku v původním jazyce

Well-ordered organic molecular layers on oxide surfaces are key for organic electronics. Using a combination of scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM) we probe the structures of copper phthalocyanine (CuPc) on In2O3, a model for a prototypical transparent conductive oxide (TCO). These scanning-probe images allow the direct determination of the adsorption site and distortions of the molecules, which are corroborated by DFT calculations. Isolated CuPc molecules adsorb in a flat, slightly tilted geometry in three symmetry-equivalent configurations on the stoichiometric In2O3(111) surface. Increasing the coverage leads to densely packed 1D chains oriented along < 110 > directions, which dissolve into a highly ordered (2 x 2) superstructure upon increasing the CuPc density to 3/4 per surface unit cell. At a coverage of one CuPc per surface unit cell, a densely packed (1 x 1) superstructure fully covers the surface. The molecules still assume the same site and orientation as before, but they partially overlap to accommodate the high packing density, leading to bending of the molecules. These results are compared to the behavior of CoPc on In2O3(111). In summary, we demonstrate that a uniform first layer of metal-phthalocyanine molecules can be realized on the In2O3(111) surface when using the proper metal atom in the molecule.

Název v anglickém jazyce

Molecular arrangements in the first monolayer of Cu-phthalocyanine on In2O3(111)

Popis výsledku anglicky

Well-ordered organic molecular layers on oxide surfaces are key for organic electronics. Using a combination of scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM) we probe the structures of copper phthalocyanine (CuPc) on In2O3, a model for a prototypical transparent conductive oxide (TCO). These scanning-probe images allow the direct determination of the adsorption site and distortions of the molecules, which are corroborated by DFT calculations. Isolated CuPc molecules adsorb in a flat, slightly tilted geometry in three symmetry-equivalent configurations on the stoichiometric In2O3(111) surface. Increasing the coverage leads to densely packed 1D chains oriented along < 110 > directions, which dissolve into a highly ordered (2 x 2) superstructure upon increasing the CuPc density to 3/4 per surface unit cell. At a coverage of one CuPc per surface unit cell, a densely packed (1 x 1) superstructure fully covers the surface. The molecules still assume the same site and orientation as before, but they partially overlap to accommodate the high packing density, leading to bending of the molecules. These results are compared to the behavior of CoPc on In2O3(111). In summary, we demonstrate that a uniform first layer of metal-phthalocyanine molecules can be realized on the In2O3(111) surface when using the proper metal atom in the molecule.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EH22_010%2F0002552" target="_blank" >EH22_010/0002552: IMPROVE V</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Materials Chemistry C

ISSN

2050-7526

e-ISSN

2050-7534

Svazek periodika

13

Číslo periodika v rámci svazku

34

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

17650-17661

Kód UT WoS článku

001537346100001

EID výsledku v databázi Scopus

2-s2.0-105014324926