The generation of a database of promising short-circuit current organic solar cell hole transport layers with machine learning and density functional theory

New Journal of Chemistry 2026

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Authors: Hussein A. K. Kyhoiesh, Sajjad H. Jawad, Salam H. Alwan, Islam H. El Azab, Hassan E. Abd Elsalam

DOI: 10.1039/d5nj04184h

Cited by: 3

References: 48

Abstract

Unlike traditional QSPR screening of existing libraries, this work integrates ML with generative design to discover novel HTLs for OSCs.

Organic Electronics and Photovoltaics Machine Learning in Materials Science Conducting polymers and applications

References 48