Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constru...Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constructed,including the PbI interface and I interface perovskite.In addition,the lead vacancies(V-Pb)and iodine vacancies(V-I)are designed at the perovskite interface.The results show that the PbI interface is more stable than I interface in the heterostructures.The PbX covering layer on the surface of the FAPbI_(3) perovskite stabilizes the perovskite octahedral structure by interface interactions and charge reconstruction that are beneficial to passivate perovskite interface defects and inhibit the phase transition.It shows that the PbTe covering layer exhibits the best passivation effect for lead vacancy defects,while PbS covering layer shows the best passivation effect for iodine vacancy defects.Additionally,appropriate structural stress can strengthen the thermal stability of defective perovskite.This work reveals the FAPbI_(3)/PbX interface engineering,and offers new insights into effectively passivating defects and improving the stability of FAPbI_(3).展开更多
基金Projects(51673214,62004225)supported by the National Natural Science Foundation of ChinaProject(2022YFB3803300)supported by the National Key Research and Development Program of ChinaProject(2024ZZTS0776)supported by the Key Innovation Project of Graduate of Central South University,China。
文摘Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constructed,including the PbI interface and I interface perovskite.In addition,the lead vacancies(V-Pb)and iodine vacancies(V-I)are designed at the perovskite interface.The results show that the PbI interface is more stable than I interface in the heterostructures.The PbX covering layer on the surface of the FAPbI_(3) perovskite stabilizes the perovskite octahedral structure by interface interactions and charge reconstruction that are beneficial to passivate perovskite interface defects and inhibit the phase transition.It shows that the PbTe covering layer exhibits the best passivation effect for lead vacancy defects,while PbS covering layer shows the best passivation effect for iodine vacancy defects.Additionally,appropriate structural stress can strengthen the thermal stability of defective perovskite.This work reveals the FAPbI_(3)/PbX interface engineering,and offers new insights into effectively passivating defects and improving the stability of FAPbI_(3).
