Pnictide photovoltaics paper published in Phys. Chem. Chem. Phys.

7 Mar 2023

Jayant’s paper on discovering novel pnictide semiconductors for photovoltaic applications, was published today in Physical Chemistry Chemical Physics. The work evaluates a set of 20 binary, ternary, and quaternary pnictide (i.e., nitride and phosphide) compositions, in terms of their band gap, 0 K thermodynamic stability, and point defect formation energies, which are relevant performance-determining metrics for potential use as photovoltaics. Importantly, our work identified three pnictide chemistries, namely, SrZn2N2, SrZn2P2, and CaZn2P2, to be promising candidates. The work was led by Prof. Sai Gautam Gopalakrishnan, and performed fully at Indian Institute of Science.


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