两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版后一修订版两侧同时换到之后的修订记录 |
adf:batteryrelated [2023/12/12 12:04] – [更早] liu.jun | adf:batteryrelated [2024/04/28 19:09] – [精选] liu.jun |
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====== 电池/能源/光伏[目录]====== | ====== 电池/能源/光伏[目录]====== |
=====精选===== | =====精选===== |
| - [[https://www.fermitech.com.cn/news/reaxffhighlight20240429|ReaxFF新力场:全无机卤化物钙钛矿中卤化物混合的原子效应]] |
| - Fe和Mn催化六方氮化硼储氢应用的计算研究, International Journal of Hydrogen Energy, Volume 65, 2 May 2024, Pages 727-739, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0360319924011911|10.1016/j.ijhydene.2024.03.335]] |
| - 二维富碳碳化钛(TiC3)作为钾离子电池大容量阳极, Appl. Surf. Sci., 2024, Volume 659, 30 June 2024, 159879, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0169433224005920|10.1016/j.apsusc.2024.159879]] |
- 【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: [[https://www.sciencedirect.com/science/article/pii/S2667325823003163|10.1016/j.fmre.2023.10.011]] | - 【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: [[https://www.sciencedirect.com/science/article/pii/S2667325823003163|10.1016/j.fmre.2023.10.011]] |
- 【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, [[https://onlinelibrary.wiley.com/doi/abs/10.1002/aenm.202300250|DOI: 10.1002/aenm.202300250]] | - 【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, [[https://onlinelibrary.wiley.com/doi/abs/10.1002/aenm.202300250|DOI: 10.1002/aenm.202300250]] |
- [[http://www.fermitech.com.cn/adf/adf_application/highlight-072|仿生高容量吩嗪基阳极的水系有机氧化还原液流电池(Nature Energy, 2018)]] | - [[http://www.fermitech.com.cn/adf/adf_application/highlight-072|仿生高容量吩嗪基阳极的水系有机氧化还原液流电池(Nature Energy, 2018)]] |
- [[http://www.fermitech.com.cn/adf/adf_application/highlight-077|金属卤化物钙钛矿的镜像成键现象(JACS,2018)]] | - [[http://www.fermitech.com.cn/adf/adf_application/highlight-077|金属卤化物钙钛矿的镜像成键现象(JACS,2018)]] |
| - 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) |
| - S.-H. Choi et al., Amorphous Zinc Stannate (Zn2SnO4) Nanofibers Networks as Photoelectrodes for Organic Dye-Sensitized Solar Cells, Adv. Funct. Mater. 1-10 (2013) |
| ====2024==== |
| - LiClO4固体聚合物电解质——聚偏二卤乙烯的理论研究, materials today communications, 2024, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S2352492824010006|10.1016/j.mtcomm.2024.109019]] |
| - B4C3作为锂离子电池电位电极材料的应用前景, Materials Science in Semiconductor Processing, Volume 176, 15 June 2024, 108320, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S1369800124002166|10.1016/j.mssp.2024.108320]] |
| - 硒化镉团簇的吸附:一种利用扶手椅石墨烯纳米带增强太阳能转换的新方法,AIP Advances, 2024, 14, 035020, DOI: [[https://pubs.aip.org/aip/adv/article/14/3/035020/3270818|10.1063/5.0187458]] |
| - 三硒亚砜基有机分子作为新一代太阳能电池供体和空穴传输材料, Journal of Physics and Chemistry of Solids, 2024, 111961, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0022369724000969|10.1016/j.jpcs.2024.111961]] |
| - Al2CO双层阳极材料在镁离子电池中的电位解析及对锂离子电池的不适用性, Journal of Alloys and Compounds, 2024, Volume 981, 25 April 2024, 173697, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0925838824002834|10.1016/j.jallcom.2024.173697]] |
| - 增强具有辅助配体的三吡啶基Ru/Os配合物的近红外吸收以激活染料敏化太阳能电池中的自旋禁止跃迁:TDDFT研究, J. Phys. Chem. A, 2024, DOI: [[https://pubs.acs.org/doi/full/10.1021/acs.jpca.3c07554|10.1021/acs.jpca.3c07554]] |
| - 锂在双层TiC3中吸附和嵌入的计算, Electrochimica Acta, 2024, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0013468624000070|10.1016/j.electacta.2024.143763]] |
=====2023===== | =====2023===== |
- 【中南大学肖劲-仲奇凡教授课题组】[[https://mp.weixin.qq.com/s/df7GchOCPdT_kVCdgKBNZw|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 | - 【中南大学肖劲-仲奇凡教授课题组】[[https://mp.weixin.qq.com/s/df7GchOCPdT_kVCdgKBNZw|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 |
- [[http://www.fermitech.com.cn/adf/highlight-019|染料敏化太阳能电池中钌染料的效率 (J Mol. Model, 2014)]] | - [[http://www.fermitech.com.cn/adf/highlight-019|染料敏化太阳能电池中钌染料的效率 (J Mol. Model, 2014)]] |
- 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. | - 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. |
- 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). | - 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). |
- 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) | - 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) |
- 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) | - 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 Reports, 4, 4033 (2014) |
- 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) | |
- 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) | - 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) |
- J. Wang et al., Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC) Dyes and Pigments 99, 440-446 (2013) | - J. Wang et al., Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC) Dyes and Pigments 99, 440-446 (2013) |