New Light-Harvesting Materials Using Accurate and Effi cient Bandgap Calculations
نویسندگان
چکیده
the search for stable binary and ternary alloys, [ 1 ] batteries, [ 2 ] carbon capture and storage, [ 3 ] photovoltaics, [ 4,5 ] dye sensitized solar cells, [ 6 ] and water splitting materials [ 7,8 ] has been guided by computational studies. The huge amount of data produced during these studies has been collected in several databases, for example, the Materials Project database, [ 9 ] the AFLOWLIB consortium [ 1 ] and the Computational Materials Repository. [ 10 , 11 ]
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