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adf:batteryrelated

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上级目录

电池/能源/光伏[目录]

精选

  1. 【国内课题组】从被衬底或孤立的金属原子、团簇模型理解氢经济, Fundamental Research, 2023, DOI: 10.1016/j.fmre.2023.10.011
  2. 【国内课题组】柔性准固态水性锌离子电池:设计原理、功能化策略和应用, Advanced Energy Materials 2023, DOI: 10.1002/aenm.202300250
  3. 钠离子电池羧酸盐阳极材料性能的空间效应, Small, 2023, DOI: 10.1002/smll.202308113
  4. 全溶液处理半透明有机太阳能电池PEDOT顶部电极的原位掺杂, ACS Appl. Mater. Interfaces 2023, DOI: 10.1021/acsami.3c09984

2023

  1. 【中南大学肖劲-仲奇凡教授课题组】锂离子电池用导电炭黑微观结构建模及基于ReaxFF与DFT的电化学反应机理研究, Energy&Fuels, 2023
  2. 用于染料敏化太阳能电池的新型苯并咪唑基钌(II)染料的合成及其光谱和理论评价, Journal of Molecular Structure, 2023, DOI: 10.1016/j.molstruc.2023.135860
  3. Polyoxometalate–Polymer Hybrid Artificial Layers for Ultrastable and Reversible Zn Metal Anodes, Chemical Engineering Journal, 2023, 143644
  4. 镁修饰锑烯储氢材料的DFT展望, Materials Science in Semiconductor Processing, 2023,Volume 161, July 2023, 107471, DOI:10.1016/j.mssp.2023.107471

2022

2021

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更早

  1. M. Barrera et al., On the performance of ruthenium dyes in dye sensitized solar cells: a free cluster approach based on theoretical indexes, J. Molecular Model. 22:118 (2016)
  2. U. Mehmood et al., Theoretical study of benzene/thiophene based photosensitizers for dye sensitized solar cells (DSSCs), Dyes and Pigments 118, 152 (2015)
  3. A. Solovyeva, M. Pavanello, and J. Neugebauer, Describing long-range charge-separation processes with - subsystem density-functional theory J. Chem. Phys., 140, 164103 (2014). See also Highlight.
  4. E. Ronca, F. de Angelis, and S. Fantacci, TDDFT Modeling of Spin-Orbit Coupling in Ru and Os Solar Cell Sensitizers, J. Phys. Chem. C 118, 17067-17078 (2014).
  5. S. Fantacci, E. Ronca, and F. de Angelis, Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells, J. Phys. Chem. Lett. 5, 375-380 (2014)
  6. D. Jolly et al., A Robust Organic Dye for Dye Sensitized Solar Cells Based on Iodine/Iodide Electrolytes Combining High Efficiency and Outstanding Stability, Scientific Reports4, 4033 (2014)
  7. B.M. Savoie et al., Unequal Partnership: Asymmetric Roles of Polymeric Donor and Fullerene Acceptor in Generating Free Charge J. Am. Chem. Soc. 138, 2876-2884 (2014)
  8. N. Renaud, P. A. Sherratt, M. A. Ratner, Mapping the Relation between Stacking Geometries and Singlet Fission Yield in a Class of Organic Crystals J. Phys. Chem. Lett. 4, 1065-1069 (2013)
  9. J. Wang et al., Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC) Dyes and Pigments 99, 440-446 (2013)
  10. X. Zarate et al., Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine-Phthalocyanine Complexes J. Phys. Chem. A 117, 430-438 (2013).
  11. C. König and J. Neugebauer, Exciton Coupling Mechanisms Analyzed with Subsystem TDDFT: Direct vs. Pseudo Exchange Effects, J. Phys. Chem. B 117, 3480 (2013).
  12. C. König et al., Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm-Dancoff approximation, J. Chem. Phys.138, 034104 (2013).
  13. P. S. Johnson et al., Electronic structure of Fe- vs. Ru-based dye molecules, J. Chem. Phys. 138, 044709 (2013)
adf/batteryrelated.1702353874.txt.gz · 最后更改: 2023/12/12 12:04 由 liu.jun

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