Highly Ordered Single Domain Peri-Tetracene Monolayers on Ag(110)

被引：0

作者：

Zirwick, Maren ^{[1
,2
]}

Kainbacher, Nina ^{[3
]}

Bauer, John B. ^{[2
]}

Wagner, Marie S. ^{[1
,2
]}

Puschnig, Peter ^{[3
]}

Chasse, Thomas ^{[1
]}

Bettinger, Holger F. ^{[2
,4
]}

Peisert, Heiko ^{[1
]}

机构：

[1] Univ Tubingen, Inst Phys & Theoret Chem, D-72076 Tubingen, Germany

[2] Univ Tubingen, Inst Organ Chem, D-72076 Tubingen, Germany

[3] Karl Franzens Univ Graz, Inst Phys, NAWI Graz, A-8010 Graz, Austria

[4] Univ Tubingen, Ctr Light Matter Interact Sensors & Analyt LISA, D-72076 Tubingen, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2025年 / 129卷 / 17期

基金：

欧洲研究理事会;

关键词：

BOTTOM-UP FABRICATION; TOTAL-ENERGY CALCULATIONS; ON-SURFACE SYNTHESIS; GRAPHENE NANORIBBONS; NANOGRAPHENE; PENTACENE; SUBSTRATE; SPECTRA; APPROXIMATION;

D O I：

10.1021/acs.jpcc.5c01482; 10.1021/acs.jpcc.5c01482

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：

The on-surface reaction of 1,1'-bitetracene (Bi4A) to peri-tetracene (tetrabenzo[bc,ef,kl,no]coronene) (4-PA) on Cu(110) and Ag(110) is studied by photoemission, scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). Density functional theory (DFT) computations suggest that the Ag(110) substrate is well suited for the formation of large-area 4-PA monolayers with a preferential adsorption alignment of 4-PA molecules along the [110] direction. The experiments confirm the formation of 4-PA and presence of large highly ordered 4-PA domains. Two distinct phases emerge, growing seamlessly over large areas and even spanning step edges. Evidence for charge transfer from the substrate to the molecule was found, resulting in a filling of the lowest unoccupied molecular orbital (LUMO) of 4-PA.

引用

页码：8447 / 8454

页数：8

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