Publication
Title
A combined experimental and computational approach to understanding CdS pigment oxidation in a renowned early 20th century painting
Author
Abstract
Cadmium sulfide (CdS)-based yellow pigments have been used in a number of early 20th century artworks, including The Scream series painted by Edvard Munch. Some of these unique paintings are threatened by the discoloration of these CdS-based yellow oil paints because of the oxidation of the original sulfides to sulfates. The experimental data obtained here prove that moisture and cadmium chloride compounds play a key role in promoting such oxidation. To clarify how these two factors effectively prompt the process, we studied the band alignment between CdS, CdCl2, and Cd-(OH)Cl as well as the radicals center dot OH and H3O center dot by density functional theory (DFT) methods. Our results show that a stack of several layers of Cd-(OH)Cl creates a pocket of positive holes at the Cl-terminated surface and a pocket of electrons at the OH-terminated surface by leading in a difference in ionization energy at both surfaces. The resulting band alignment indicates that Cd-(OH)Cl can indeed play the role of an oxidative catalyst for CdS in a moist environment, thus providing an explanation for the experimental evidence.
Language
English
Source (journal)
Chemistry of materials / American Chemical Society. - Washington, D.C., 1989, currens
Publication
Washington, D.C. : 2023
ISSN
0897-4756 [print]
1520-5002 [online]
DOI
10.1021/ACS.CHEMMATER.3C01470
Volume/pages
35 :24 (2023) , p. 10403-10415
ISI
001133000900001
Full text (Publisher's DOI)
Full text (open access)
The author-created version that incorporates referee comments and is the accepted for publication version Available from 08.06.2024
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Project info
IPERION CH: Integrated Platform for the European Research Infrastructure ON Cultural Heritage
CALIPSOplus: Convenient Access to Light Sources Open to Innovation, Science and to the World
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identifier
Creation 01.02.2024
Last edited 12.02.2024
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