Spurious forces are a significant challenge for multi-scale methods,e.g.,the coupled atomistic/discrete dislocation(CADD)method.The assumption of isotropic matter in the continuum domain is a critical factor leading t...Spurious forces are a significant challenge for multi-scale methods,e.g.,the coupled atomistic/discrete dislocation(CADD)method.The assumption of isotropic matter in the continuum domain is a critical factor leading to such forces.This study aims to minimize spurious forces,ensuring that atomic dislocations experience more precise forces from the continuum domain.The authors have already implemented this idea using a simplified and unrealistic slipping system.To create a comprehensive and realistic model,this paper considers all possible slip systems in the face center cubic(FCC)lattice structure,and derives the required relationships for the displacement fields.An anisotropic version of the three-dimensional CADD(CADD3D)method is presented,which generates the anisotropic displacement fields for the partial dislocations in all the twelve slip systems of the FCC lattice structure.These displacement fields are tested for the most probable slip systems of aluminum,nickel,and copper with different anisotropic levels.Implementing these anisotropic displacement fields significantly reduces the spurious forces on the slip systems of FCC materials.This improvement is particularly pronounced at greater distances from the interface and in more anisotropic materials.Furthermore,the anisotropic CADD3D method enhances the spurious stress difference between the slip systems,particularly for materials with higher anisotropy.展开更多
Solution-processed Cu(In,Ga)Se_(2)(CIGS) solar cells suffer from serious carrier recombination and power conversion efficiency(PCE) loss because of the poor film properties and easy formation of defects.Herein, we pro...Solution-processed Cu(In,Ga)Se_(2)(CIGS) solar cells suffer from serious carrier recombination and power conversion efficiency(PCE) loss because of the poor film properties and easy formation of defects.Herein, we propose Ag&Se co-selenization strategy to enhance the crystallization and passivate harmful defects of the CIGS films. The formation of Ag-Se phase during the selenization process enables the formation of large grains and suppresses the deep level defects. It is found that Ag doping can enlarge the depletion region width, lower the Urbach energy and prolong the carrier lifetime. As a result, a champion solution-processed CIGS solar cell presents a high efficiency of 16.48% with the highly improved opencircuit voltage(VOC) of 662 m V and fill factor(FF) of 75.8%. This work provides an efficient strategy to prepare high quality solution-processed CIGS films for high-performance CIGS solar cells.展开更多
文摘Spurious forces are a significant challenge for multi-scale methods,e.g.,the coupled atomistic/discrete dislocation(CADD)method.The assumption of isotropic matter in the continuum domain is a critical factor leading to such forces.This study aims to minimize spurious forces,ensuring that atomic dislocations experience more precise forces from the continuum domain.The authors have already implemented this idea using a simplified and unrealistic slipping system.To create a comprehensive and realistic model,this paper considers all possible slip systems in the face center cubic(FCC)lattice structure,and derives the required relationships for the displacement fields.An anisotropic version of the three-dimensional CADD(CADD3D)method is presented,which generates the anisotropic displacement fields for the partial dislocations in all the twelve slip systems of the FCC lattice structure.These displacement fields are tested for the most probable slip systems of aluminum,nickel,and copper with different anisotropic levels.Implementing these anisotropic displacement fields significantly reduces the spurious forces on the slip systems of FCC materials.This improvement is particularly pronounced at greater distances from the interface and in more anisotropic materials.Furthermore,the anisotropic CADD3D method enhances the spurious stress difference between the slip systems,particularly for materials with higher anisotropy.
基金National Natural Science Foundation of China (62104061, 62074052, 61974173 and 52072327)。
文摘Solution-processed Cu(In,Ga)Se_(2)(CIGS) solar cells suffer from serious carrier recombination and power conversion efficiency(PCE) loss because of the poor film properties and easy formation of defects.Herein, we propose Ag&Se co-selenization strategy to enhance the crystallization and passivate harmful defects of the CIGS films. The formation of Ag-Se phase during the selenization process enables the formation of large grains and suppresses the deep level defects. It is found that Ag doping can enlarge the depletion region width, lower the Urbach energy and prolong the carrier lifetime. As a result, a champion solution-processed CIGS solar cell presents a high efficiency of 16.48% with the highly improved opencircuit voltage(VOC) of 662 m V and fill factor(FF) of 75.8%. This work provides an efficient strategy to prepare high quality solution-processed CIGS films for high-performance CIGS solar cells.
