PolyU research overcomes major obstacle to solar technology development, achieving record 33.89% power-conversion efficiency in solar cells (IMAGE)

The Hong Kong Polytechnic University

PolyU research overcomes major obstacle to solar technology development, achieving record 33.89% power-conversion efficiency in solar cells

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a,b, Optimized slab structures for defective FAI-rich (100)-VFA with PA+ and EDA2+ adsorption (a) and defective PbI2-rich (100)-VPb with PA2+ and EDA2+ adsorption (b). c, Calculated binding energies between ammonium cation (PA+, PhA2+, EDA2+, PDA2+ and BDA2+) and defective FAPbI3(100) surfaces. PhA, 1,4-phenylenediammonium; EDA, ethylenediammonium; PDA, propane-1,3-diammonium; BDA, butane-1,4-diammonium;. d,e, Projected density of states (PDOS) for defective FAI-rich (100)-VFA before and after PA+ and EDA2+ adsorption (d) and defective PbI2-rich (100)-VPb before and after PA+ and EDA2+ adsorption (e). All the DFT calculations were performed at the generalized gradient approximation/Perdew–Burke–Ernzerhof + van der Waals level of theory.

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