Theoretical Design Of Two X-shape Molecules For Organic Solar Cell

Organic solar cells are the most suitable candidate as energy substituent due to their flexibility, easiness of handling, and low cost. Herein we theoretically developed an effective organic solar cell based on the two X-shape molecule namely M1and M2. DFT was successfully used to manifests the effect of electron donating group on the electro-chemical and optical properties for the proposed compounds. The results clearly warrant that, the energy levels boosted by approximately40%upon usage of the electron donating groups particularly-OCH3and-CH3which is ascribed to the higher electron density in such groups. Whilst the energy level diminished via usage of the electron withdrawing groups in compare with the reports elsewhere. Therefore thus results obviously electron donating groups have the ability to raise the optical properties which subsequently could enhance the efficacy of the organic solar cells.