In Silico Toxicity Screening as a Tool for the Development of Sustainable Electronics, Exemplified with Organic Light‐Emitting Electrochemical Cells

• Published in: ChemistrySelect (Weinheim) 2024-09, Vol.9 (36), p.n/a
• Main Authors: Sutar, Papri, McGrath, Thomas P., Lulla, Kunal, Somerton, Christopher, Ashton, Mark D., Harper, Garry R., Halcovitch, Nathan R., Mort, Richard L., Wright, Karen L., Stowell, Alison F., Bird, David, Young, Robert J., Hardy, John G.
• Format: Article
• Language: English
• Subjects: Conjugated polymer; Light-emitting electrochemical cell; Light-weight and flexible device architectures; Materials science; Solution-based fabrication
• ISSN: 2365-6549; 2365-6549
• DOI: 10.1002/slct.202301868

Electrical and electronic equipment (EEE) have revolutionized our lives, however, their associated waste (WEEE) presents a global challenge because at this time EEE relies heavily on metals that are not commonly found in the living environment (Biosphere), which find their way into the environment during both production/disposal of EEE/WEEE. The use of organic components in EEE is increasingly common, particularly with the growing interest in flexible electronics. Here we describe an approach to device design employing in silico toxicity screening to assess the toxicity of the components chosen for use in EEE that is exemplified using inorganic and organic components known in the literature for the production of prototype organic light‐emitting electrochemical cells. This approach could easily be employed to screen a variety of components for which datasets to produce safety data sheets (SDSs) don't yet exist because they have not been produced in large scale or in a regulatory environment which necessitates this. The approach has significant potential to improve high throughput screening of components for EEE that are “safe‐by‐design”, potentially in combination with AI and ML approaches. Electronics used worldwide are mass‐produced in a layer‐by‐layer approach. Herein we demonstrate the utility of in silico toxicity screening to assess the safety of the feedstocks used to produce prototype electronic devices (exemplified with light‐emitting electrochemical cells) in line with “safe‐by‐design” principles. We believe this approach has significant opportunities for broader application in the development of next generation electronics.