biostudies-literatureUnknown14(53)Chaoui KThe urgent need for solar electricity production is critical for ensuring energy security and mitigating climate change. Achieving the optimal optical bandgap and effective carrier separation, essential for high-efficiency solar cells, remains a significant challenge when utilizing a single material. In this study, we design a BAs/GeC heterostructure using density functional theory. Our findings indicate that the BAs/GeC heterostructure exhibits direct bandgap semiconductor characteristics. Notably, the BAs/GeC heterostructure demonstrates excellent optical absorption within the infrared and visible light spectrum. Moreover, significant carrier spatial separation was suggested, facilitated by a Z-scheme pathway. Furthermore, applying biaxial strains revealed that the BAs/GeC heterostructurRSC advances39625-39635https://www.ebi.ac.uk/biostudies/studies/S-EPMC11650562biostudies-literatureTheoretical insights into Z-scheme BAs/GeC van der Waals heterostructure for high-efficiency solar cell.PMC11650562Henrard LZanat KElaggoune WChaoui KAchehboune MfalseTheoretical insights into Z-scheme BAs/GeC van der Waals heterostructure for high-efficiency solar cell.The urgent need for solar electricity production is critical for ensuring energy security and mitigating climate change. Achieving the optimal optical bandgap and effective carrier separation, essential for high-efficiency solar cells, remains a significant challenge when utilizing a single material. In this study, we design a BAs/GeC heterostructure using density functional theory. Our findings indicate that the BAs/GeC heterostructure exhibits direct bandgap semiconductor characteristics. Notably, the BAs/GeC heterostructure demonstrates excellent optical absorption within the infrared and visible light spectrum. Moreover, significant carrier spatial separation was suggested, facilitated by a Z-scheme pathway. Furthermore, applying biaxial strains revealed that the BAs/GeC heterostructur2024-01-01T00:00:00Z2024 Dec2025-04-04T01:50:50.904Z2025-04-04T01:50:50.904ZS-EPMC116505623969123110.1039/d4ra08369e