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Molecular Design of Hole-Collecting Materials for Co-Deposition Processed Perovskite Solar Cells: A Tripodal Triazatruxene Derivative with Carboxylic Acid Groups.
J Am Chem Soc
January 2025
Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan.
High-performance and cost-effective hole-collecting materials (HCMs) are indispensable for commercially viable perovskite solar cells (PSCs). Here, we report an anchorable HCM composed of a triazatruxene core connected with three alkyl carboxylic acid groups (). In contrast to the phosphonic acid-containing tripodal analog (), molecules can form a hydrophilic monolayer on a transparent conducting oxide surface, which is beneficial for subsequent perovskite film deposition in the traditional layer-by-layer fabrication process.
View Article and Find Full Text PDFOptical Activity of Chiral Excitons.
Adv Mater
January 2025
Center for Hybrid Organic-Inorganic Semiconductors for Energy, Golden, Colorado, 80401, USA.
Recent activity in the area of chiroptical phenomena has been focused on the connection between structural asymmetry, electron spin configuration and light/matter interactions in chiral semiconductors. In these systems, spin-splitting phenomena emerge due to inversion symmetry breaking and the presence of extended electronic states, yet the connection to chiroptical phenomena is lacking. Here, we develop an analytical effective mass model of chiral excitons, parameterized by density functional theory.
View Article and Find Full Text PDFSingle-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.
Chem Sci
December 2024
Institute for Chemical Research, Kyoto University Gokasho, Uji Kyoto 611-0011 Japan
Although fullerene bisadducts are promising electron-transporting materials for tin halide perovskite solar cells, they are generally synthesized as a mixture of isomeric products that require a complicated separation process. Here, we introduce a phenylene-bridged bis(pyrrolidino)fullerene, Bis-PC, which forms only a single isomer due to geometrical restriction. When used in a tin perovskite solar cell with a PEAFASnI (PEA: phenylethylammonium and FA: formamidinium) light absorption layer, the resulting open-circuit voltage ( ) was 0.
View Article and Find Full Text PDFInfluence of nonequilibrium vibrational dynamics on spin selectivity in chiral molecular junctions.
J Chem Phys
January 2025
Institute of Physics, University of Freiburg, Hermann-Herder-Strasse 3, 79104 Freiburg, Germany.
We explore the role of molecular vibrations in the chirality-induced spin selectivity (CISS) effect in the context of charge transport through a molecular nanojunction. We employ a mixed quantum-classical approach that combines Ehrenfest dynamics for molecular vibrations with the hierarchical equations of motion method for the electronic degrees of freedom. This approach treats the molecular vibrations in a nonequilibrium manner, which is crucial for the dynamics of molecular nanojunctions.
View Article and Find Full Text PDFSubstrate-Mediated Growth of Au Nanowires Under Weak CTAB Control and Rapid Au Deposition.
Small Methods
December 2024
Institute of Advanced Synthesis (IAS) and School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Centre for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.
The selective Au deposition at the Au-substrate interface is known to give ultrathin Au nanowires and the synthesis usually employs strong thiol-based ligands. It is shown that, by increasing the rate of Au deposition, weak cetyltrimethylammonium bromide (CTAB) can be made to behave like a strong ligand, so that it induces Active Surface Growth and gives Au nanowires. The ligand strength also depends on the packing interactions in the ligand layer, in the order of CTAB, CTAB, and CTAB.
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