| 1. |
- Guo, Huijie, et al.
(författare)
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Regulation of photoinduced charge transfer in all-small-molecule organic solar cells through the synergistic effect of external electric field and solvent
- 2024
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Ingår i: Journal of Luminescence. - 0022-2313. ; 268
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Tidskriftsartikel (refereegranskat)abstract
- The donor (BTR-Cl) and acceptor (BTP-FCl-FCl) have well-defined small molecule properties and excellent repeatability, and they can form charge transfer complexes with a wide spectral absorption range. Using density functional theory (DFT), we simulate the photoinduced charge transfer of bulk-heterojunction (BHJ) organic solar cell (OSC) materials modulated by the external electric field (Fext) at the microscopic level. The excited-state properties, reorganization energy (λ), Gibbs free energy (ΔG), electron coupling matrix elements (VDA) and intermolecular charge transfer (ICT) rate dependent on Fext are systematically analyzed. The results manifest that Fext has apparent positive regulation on the charge separation rate (KCS), and VDA is the main factor affecting KCS. The synergistic effect of solvent and Fext on charge transfer process is further investigated. It is found that the charge transfer rate in solvent is lower than that in solvent-free conditions, and the charge transfer rate in chlorobenzene (CB) solvent does not change significantly under the control of Fext. At the same time, Fext has a positive effect on the charge transfer rate in tetrahydrofuran (THF) solvent. Considering the charge transfer rate under different solvents and Fext intensities, it is found that the solvent and Fext play an essential role in determining the KCS and charge recombination rate (KCR).
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| 2. |
- Wang, Xinyue, et al.
(författare)
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Exploring the effect of electric field on charge-transfer states at non-fullerene D/A interface
- 2023
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Ingår i: Journal of Molecular Liquids. - 0167-7322. ; 390
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Tidskriftsartikel (refereegranskat)abstract
- Using Marcus theory, the electric-field-dependent charge-separation dynamics of non-fullerene acceptors D/A heterojunctions are simulated. On the D/A interface, the excited-state characteristics show obvious differences under different electric field intensities, providing microscopic details of the non-fullerene D/A interface at the atomic level. For different electric field conditions, so the calculated reorganization energy ranges from 0.97 to 1 eV. By comparing other charge transfer parameters of this system, it was found that the reorganization energy mainly determines the charge-transfer rate. The results show that the charge transfer rate does exhibit a variation that depends on the electric field intensity and is consistent with the variation in the Marcus inverted region. By evaluating the rate of charge separation/recombination, it is judged that its charge separation shows significant advantages, and the trifurcated structure of the molecule also provides multiple charge transfer paths for charge separation, which contributes to the charge generation mechanism.
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| 3. |
- Zhang, Huai, et al.
(författare)
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A global survey on the use of the international classification of diseases codes for metabolic dysfunction-associated fatty liver disease.
- 2024
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Ingår i: Hepatology international. - 1936-0541.
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Tidskriftsartikel (refereegranskat)abstract
- With the implementation of the 11th edition of the International Classification of Diseases (ICD-11) and the publication of the metabolic dysfunction-associated fatty liver disease (MAFLD) nomenclature in 2020, it is important to establish consensus for the coding of MAFLD in ICD-11. This will inform subsequent revisions of ICD-11.Using the Qualtrics XM and WJX platforms, questionnaires were sent online to MAFLD-ICD-11 coding collaborators, authors of papers, and relevant association members.A total of 890 international experts in various fields from 61 countries responded to the survey. We also achieved full coverage of provincial-level administrative regions in China. 77.1% of respondents agreed that MAFLD should be represented in ICD-11 by updating NAFLD, with no significant regional differences (77.3% in Asia and 76.6% in non-Asia, p=0.819). Over 80% of respondents agreed or somewhat agreed with the need to assign specific codes for progressive stages of MAFLD (i.e. steatohepatitis) (92.2%), MAFLD combined with comorbidities (84.1%), or MAFLD subtypes (i.e., lean, overweight/obese, and diabetic) (86.1%).This global survey by a collaborative panel of clinical, coding, health management and policy experts, indicates agreement that MAFLD should be coded in ICD-11. The data serves as a foundation for corresponding adjustments in the ICD-11 revision.
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