Dopant-free hole transport materials (HTMs) are ideal materials for highly efficient and stable n-i-p perovskite solar cells (PSCs), but most current design strategies for tailoring the molecular structures of HTMs are limited to single strategy. Herein, four HTMs based on dithienothiophenepyrrole (DTTP) core are devised through dual-strategy methods combining conjugate engineering and side chain engineering. DTTP-ThSO with ester alkyl chain that can form six-membered ring by the S⋅⋅⋅O noncovalent conformation lock with thiophene in the backbone shows good planarity, high-quality film, matching energy level and high hole mobility, as well as strong defect passivation ability. Consequently, a remarkable power conversion efficiency (PCE) of 23.3 % with a nice long-term stability is achieved by dopant-free DTTP-ThSO-based PSCs, representing one of the highest values for un-doped organic HTMs based PSCs. Especially, the fill factor (FF) of 82.3 % is the highest value for dopant-free small molecular HTMs-based n-i-p PSCs to date. Moreover, DTTP-ThSO-based devices have achieved an excellent PCE of 20.9 % in large-area (1.01 cm) devices. This work clearly elucidates the structure-performance relationships of HTMs and offers a practical dual-strategy approach to designing dopant-free HTMs for high-performance PSCs.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1002/anie.202403083 | DOI Listing |
G protein-coupled receptors (GPCRs), the largest family of drug targets, can signal through 16 subtypes of Gα proteins. Biased compounds that selectively activate therapy-relevant pathways promise to be safer, more effective medications. The determinants of bias are poorly understood, however, and rationally-designed, G protein-subtype-selective compounds are lacking.
View Article and Find Full Text PDFJ Phys Chem Lett
December 2024
Materials Physics Center, CSIC-UPV/EHU, Paseo de Manuel Lardizabal, 5, 20018 Donostia - San Sebastian, Spain.
Hybrid perovskites exhibit complex structures and phase behavior under different thermodynamic conditions and chemical environments, the understanding of which continues to be pivotally important for tailoring their properties toward improved operational stability. To this end, we present for the first time a comprehensive neutron and synchrotron diffraction investigation over the pressure-temperature phase diagram of the paradigmatic hybrid organic-inorganic perovskite methylammonium lead iodide (MAPbI). This ambitious experimental campaign down to cryogenic temperatures and tens of kilobars was supported by extensive molecular dynamics simulations validated by the experimental data, to track the structural evolution of MAPbI under external physical stimuli at the atomic and molecular levels.
View Article and Find Full Text PDFSmall
December 2024
State Key Laboratory of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072, China.
Currently, circularly polarized luminescence (CPL) has drawn wide interest in 3D display, information storage, and optical sensing. However, traditional synthetic paths are often accompanied by low chiral optical intensity and complex processes. Cellulose nanocrystals (CNCs), with the properties of liquid crystals, can spontaneously arrange into the left-handed layered nanofilm, which enables them candidates in the construction of CPL materials.
View Article and Find Full Text PDFActa Crystallogr D Struct Biol
January 2025
Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA.
Molecular replacement (MR) is highly effective for biomolecular crystal structure determination, increasingly so as the database of known structures has increased. For candidates without recognizable similarity to known structures, however, crystal structure analyses have nearly always required experiments for de novo phase evaluation. Now, with the unprecedented accuracy of AlphaFold predictions of protein structures from amino-acid sequences, an appreciable expansion of the reach of MR for proteins is realized.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
Direct air capture (DAC) technologies are limited by the poor understanding of the dynamic role of interfaces in modulating the chemisorption of CO from air into solutions. While the reactivity of aqueous amine-based solvents in the bulk environment is strongly inhibited by nonequilibrium solvent effects, promoting DAC at interfaces posits a possibility to reduce the coupling with the solvent and significantly accelerate DAC. Building on an experimentally proven concept to bring an anionic glycine absorbent to the interface through ion-pairing interactions with a positively charged surfactant, we establish the fundamental time scales for key elementary steps involved in DAC with rate theory and enhanced-sampling molecular dynamics simulations.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!