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beryllium selenide is a material that can be used to create many different types of products. It can be made into chemical tools, glass, and metals. It can also be used to make a variety of electronic devices including photovoltaic cells and laser diodes.
It has a wide band gap and is a promising candidate for a new generation of high-efficiency solar cells. It can be deposited on a variety of substrates and is suitable for use in low-temperature thin film solar cell fabrication.
Its electronic structure has been studied in a variety of arrangements from the molecule, bulk, monolayer and single-walled zigzag (n,0) and armchair (n,n) nanotubes (SWBeSeNTs). We carried out extensive computational studies using ab initio quantum mechanical methods at the multiconfiguration self-consistent field and multireference configuration interaction level to obtain accurate potential energy curves for the electronic ground state and excited states of BeSe.