Our newest Paper, "Quantum-to-classical modeling of monolayer Ge2Se2 and its application in photovoltaic devices," just got published in the Beilstein Journal of Nanotechnology as a diamond-standard open-access publication as a part of the thematic issue "Smart nanomaterials in electronics and photonics.

Our recent research publication reports on monolayer Ge₂Se₂ (a group IV-VI dichalcogenide), its optoelectronic behavior, and its potential application in photovoltaics. The material fosters an astonishing device performance when employed as a hole transport layer. Our findings advocate monolayer Ge₂Se₂ for various optoelectronic devices, including next-generation solar cells. Furthermore, we present a hybrid quantum-to-macroscopic methodology, which applies to broader classes of 2D and 3D materials and structures, showing a path to the computational design of future photovoltaic materials.

Congratulations to Dr. Anup Shrivastava and Dr. Shivani Saini for their excellent work. We acknowledge the fruitful collaboration with Dr. Sanjai Singh, Computational Nano-Material Research Lab (CNMRL), Indian Institute of Information Technology, Allahabad, India. 

Read the complete article here: 
Shrivastava, A., Saini, S., Kumari, D., Singh, S., & Adam, J. (2024). Quantum-to-classical modeling of monolayer Ge2Se2 and its application in photovoltaic devices. Beilstein Journal of Nanotechnology, 15(1), 1153–1169. https://doi.org/10.3762/bjnano.15.94