DataVXChemistry of MaterialsPaper
journal article·2023-12-26Open access

A Combined Experimental and Computational Approach to Understanding CdS Pigment Oxidation in a Renowned Early 20th Century Painting

Selma Mayda, Letizia Monico, Dileep Krishnan, Steven De Meyer, Marine Cotte, Jan Garrevoet, Gerald Falkenberg, Irina CA Sandu, Bart Partoens, Dirk Lamoen, Aldo Romani, Costanza Miliani, Johan Verbeeck, Koen Janssens

Chemistry of Materials· Volume 35· Issue 24
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Source abstract

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, CdCl 2, and Cd(OH)Cl as well as the radicals •OH and H 3 O• 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.
Source: openalex_inverted_index · Quality: baseline

Research context

Catalysis & surfaces

OpenAlex topics: Pigment Synthesis and Properties · Cultural Heritage Materials Analysis · Advanced Photocatalysis Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Electron Microscopy for Materials Science (EMAT) and NANOLab Center of Excellence, Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium

CNR-SCITEC, Via Elce di Sotto 8, 06123 Perugia, Italy

SMAArt Center of Excellence and Department of Chemistry, Biology, and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy

Antwerp X-ray Imaging and Spectroscopy Laboratory (AXIS) and NANOLab Center of Excellence, Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium

The European Synchrotron Radiation Facility (ESRF), 38000 Grenoble, France

Laboratoire d’Archéologie Moléculaire et Structurale (LAMS), Sorbonne Université, CNRS, UMR8220, 4 Place Jussieu, 75005 Paris, France

Deutsches Elektronen-Synchrotron (DESY) Notkestr. 85, 22607 Hamburg, Germany

MUNCH Museum, Section on Conservation, Edvard Munch Plass 1, 0194 Oslo, Norway

Condensed Matter Theory (CMT) and NANOLab Center of Excellence, Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium

CNR-ISPC Via Cardinale Guglielmo Sanfelice 8, 80134 Naples, Italy

Funding

Ministero dell?Istruzione, dell?Universit? e della Ricerca · Universit? degli Studi di Perugia · H2020 Research Infrastructures · Horizon 2020 Framework Programme

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