Journal
NEW JOURNAL OF CHEMISTRY
Volume 43, Issue 37, Pages 14892-14897Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9nj03660a
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Funding
- National Natural Science Foundation of China [21673240]
- Foreign Cooperation Project of Fujian Province [2017I0019]
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Lead-free hybrid perovskites have attracted great attention as environmentally friendly light absorber layers. In this work, we report on Te-based double perovskites A(2)TeI(6) (A = Tl, K, NH4, Rb, Cs, CH3NH3, and CH(NH2)(2)) as potential candidates for optoelectronic applications. The structural stability and electronic and optical properties of these Te-based double perovskite materials are investigated by using first-principles calculations. These Te-based double perovskites exhibit good structural stability, tunable band gap, and strong optical absorption. These Te-based double perovskites show promising optoelectronic properties, and may be potential candidates for photovoltaic applications. Our calculated results can provide a deep insight into developing lead-free perovskite solar cells.
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