m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

Teng Zhang; Cesare Grazioli; Ambra Guarnaccio; Iulia Emilia Brumboiu; Valeria Lanzilotto; Fredrik O.L. Johansson; Klára Beranová; Marcello Coreno; Monica de Simone; Barbara Brena; Carla Puglia

doi:10.1021/acs.jpcc.1c09574

m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

Teng Zhang^*
, Cesare Grazioli
, Ambra Guarnaccio
, Iulia Emilia Brumboiu
, Valeria Lanzilotto
, Fredrik O.L. Johansson
, Klára Beranová
, Marcello Coreno
, Monica de Simone
, Barbara Brena
, Carla Puglia^*

^*Corresponding author for this work

School of Integrated Circuits and Electronics

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

The starburst π-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4′,4″-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C₅₇H₄₈N₄, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA adsorbed on an Au(111) surface was investigated by means of photoelectron spectroscopy (PES) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results were further compared to gas-phase measurements and DFT calculations. Our results clearly indicate a significant molecule-substrate interaction that induces considerable modifications on the electronic structure of the adsorbate compared to the isolated molecule. The energy level alignment analysis shows that the HOMO-LUMO gap is filled by new interface states.

Original language	English
Pages (from-to)	3202-3210
Number of pages	9
Journal	Journal of Physical Chemistry C
Volume	126
Issue number	6
DOIs	https://doi.org/10.1021/acs.jpcc.1c09574
Publication status	Published - 17 Feb 2022

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title = "m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions",

abstract = "The starburst π-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4′,4″-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C57H48N4, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA adsorbed on an Au(111) surface was investigated by means of photoelectron spectroscopy (PES) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results were further compared to gas-phase measurements and DFT calculations. Our results clearly indicate a significant molecule-substrate interaction that induces considerable modifications on the electronic structure of the adsorbate compared to the isolated molecule. The energy level alignment analysis shows that the HOMO-LUMO gap is filled by new interface states.",

author = "Teng Zhang and Cesare Grazioli and Ambra Guarnaccio and Brumboiu, \{Iulia Emilia\} and Valeria Lanzilotto and Johansson, \{Fredrik O.L.\} and Kl{\'a}ra Beranov{\'a} and Marcello Coreno and \{de Simone\}, Monica and Barbara Brena and Carla Puglia",

note = "Publisher Copyright: {\textcopyright} 2022 American Chemical Society",

year = "2022",

month = feb,

day = "17",

doi = "10.1021/acs.jpcc.1c09574",

language = "English",

volume = "126",

pages = "3202--3210",

journal = "Journal of Physical Chemistry C",

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TY - JOUR

T1 - m-MTDATA on Au(111)

T2 - Spectroscopic Evidence of Molecule-Substrate Interactions

AU - Zhang, Teng

AU - Grazioli, Cesare

AU - Guarnaccio, Ambra

AU - Brumboiu, Iulia Emilia

AU - Lanzilotto, Valeria

AU - Johansson, Fredrik O.L.

AU - Beranová, Klára

AU - Coreno, Marcello

AU - de Simone, Monica

AU - Brena, Barbara

AU - Puglia, Carla

PY - 2022/2/17

Y1 - 2022/2/17

N2 - The starburst π-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4′,4″-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C57H48N4, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA adsorbed on an Au(111) surface was investigated by means of photoelectron spectroscopy (PES) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results were further compared to gas-phase measurements and DFT calculations. Our results clearly indicate a significant molecule-substrate interaction that induces considerable modifications on the electronic structure of the adsorbate compared to the isolated molecule. The energy level alignment analysis shows that the HOMO-LUMO gap is filled by new interface states.

AB - The starburst π-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4′,4″-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C57H48N4, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The electronic structure of m-MTDATA adsorbed on an Au(111) surface was investigated by means of photoelectron spectroscopy (PES) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The results were further compared to gas-phase measurements and DFT calculations. Our results clearly indicate a significant molecule-substrate interaction that induces considerable modifications on the electronic structure of the adsorbate compared to the isolated molecule. The energy level alignment analysis shows that the HOMO-LUMO gap is filled by new interface states.

UR - https://www.scopus.com/pages/publications/85124913460

U2 - 10.1021/acs.jpcc.1c09574

DO - 10.1021/acs.jpcc.1c09574

M3 - Article

AN - SCOPUS:85124913460

SN - 1932-7447

VL - 126

SP - 3202

EP - 3210

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 6

ER -

m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

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