RUSSIAN JOURNAL OF GENERAL CHEMISTRY
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2016
·Vol. 86
·期 7
·1747-1752
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IF 0.481
Lin Meijuan,Tang Qiang,Zeng Huijuan,Xing Guang,Ling Qidan
Several new Ir(III) complexes with 2-(4-bromophenyl)-1 H -benzo[d]imidazole or 2-(4-bromophenyl)- 1-methyl-benzo[ d ]imidazole ligands as cylcometalated ligand and acetylacetonate or picolinate as the ancillary ligand were synthesized and their structures and photophysical properties were characterized. HOMO and LUMO energy levels and the molecular structures of Ir(III) complexes were scrutinized by DFT calculations. The complexes exhibited green luminescence at the maximum emission peaks at ca 495–522 nm. The methyl group substituent and replacing of acetylacetonate with picolinate complex can enhance the complex thermal stability. HOMO energy levels of the complexes vary from –4.99 to –5.44 eV, the LUMO energy levels are between –1.52 and –1.97 eV.
研究领域:
材料科学
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化学
✓ 已验证
DOI
高影响因子
RARE METALS
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2022
·Vol. 42
·期 1
·122-133
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IF 6.318
Dong Wu-Jie,Le Jia-Bo,Jin Yan,Zhang Guo-Qing,Ye Bin,Qin Peng,Huang Fu-Qiang
Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with 6s 2 electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·g −1 and the reversibly capacity of 102, 102 and 101 mAh·g −1 with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract
研究领域:
材料科学
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化学
·
能源科学
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Nano Materials
·
2023
·
IF 5.9
Huanhuan Sun,Hongyan Yu,Boyang Han,Junjie Ma,Rensheng Wang,Yanping Song
Pressure-induced surface-enhanced Raman spectroscopy (PI-SERS) is among the foremost achievements of high-pressure fields, benefiting from the advantage that pressure-modulated interactions between substrates and molecules overcome the weakness of individual substrates or molecules. However, the pressure corresponding to PI-SERS enhancement is currently still at a low-pressure stage within 8 GPa. Therefore, how to realize PI-SERS enhancement under higher or ultrahigh pressure remains a huge challenge. Here, we applied few-layer WS2 (FL-WS2) nanosheets as PI-SERS substrates and selected 4-mercaptobenzoic acid (4-MBA) molecules with a big energy gap as probes to explore PI-SERS enhancement in more depth. The experimental results indicate that the PI-SERS signals increase gradually as pressure increases and reaches a maximum at 18 GPa, which has set a pressure record for the PI-SERS field so far. Different from the C exciton resonance-induced SERS intensities at ambient conditions, the charge-transfer transition between FL-WS2 and 4-MBA is strengthened via the pressure-induced increase in the band gap of FL-WS2 and decrease in the highest-occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap of 4-MBA, thus enhancing PI-SERS signals accordingly. Therefore, this strategy will be beneficial for practical applications in the field of optoelectronics and for the design of other PI-SERS sensors for trace detection in complex and extreme environments.
研究领域:
材料科学
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纳米技术
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光电子学
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光谱学
✓ 已验证
产品关联
DOI
高影响因子
Light-Science & Applications
·
2025
·Vol. 14
·期 1
·1-9
·
IF 23.4
Chen Zhong,Man Zhongwei,Rao Shichao,Zhao Jinxing,Wang Shuaibing,Zhang Runtong,Teng Feng,Tang Aiwei
Recently, colloidal quantum dots (QDs) with high luminescent efficiency and tunable colors have become ideal materials for next-generation display devices. Direct photolithography is a powerful tool for patterning QD devices, but it faces the serious issue of degradation in the photophysical properties of the patterned QDs. Here, we use relatively rigid cyclopentane as a bridging group to design the crosslinker CPTA, achieving high-resolution direct photolithography of QDs with nearly nondestructive under ambient conditions. The key to the crosslinker design is the introduction of a rigid bridging group that elevates the LUMO level, providing a stronger energy barrier to prevent QD electrons from being trapped or undergoing non-radiative recombination, thus preserving their PL and EL properties. The efficient and high-resolution RGB line and dot arrays were fabricated with pixel sizes down to 1 μm and a resolution of up to 6350 PPI. The patterned RGB QD films, especially red QDs, maintained their optical and optoelectronic properties, with patterned red QLEDs achieving peak external quantum efficiency (EQE) of 21% and a maximum luminance ( L max ) of ~180,000 cd m⁻², matching pristine devices. These results highlight the importance of photo-crosslinker design for nondestructive QDs patterning, paving the way for advanced display applications in patterned QLED technology.
研究领域:
材料科学
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纳米技术
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光电子学
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显示技术
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光刻技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Energy Storage Materials
·
2024
·
IF 18.9
Shuai Cui,Ting Li,Donggang Tao,Daohong Zhang,Yuliang Cao,Fei Xu
Rechargeable magnesium batteries are a potential selection for large-scale energy storage technologies, but development of cathode materials is the major difficulty at present. Organic polyimides are promising magnesium battery cathodes with the open and amorphous frameworks as well as enhanced charge delocalization. However, only two carbonyls are redox-active out of four for each imide unit, which largely limits the capacity. Herein, a new polyimide containing disulfide bond is fabricated and studied as cathode for rechargeable magnesium batteries. This polyimide shows a high capacity beyond the traditional two-electron principle. A mechanism study demonstrates that carbonyl enolization and disulfide bond break/formation occur in the redox process, leading to formation/break of sulfur-oxygen bond. This sulfur-oxygen bond enhances enolization and electron delocalization, resulting in an improved capacity. Further theoretical computation indicates a charge transfer within this sulfur-oxygen bond. The two-electron reduction state exhibits quite low HOMO and LUMO energy levels, which makes the disulfide bonded polyimide have a higher tendency to accept more electrons and a higher oxidation stability after reduction.
研究领域:
储能材料
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电化学
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高分子化学
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电池技术
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材料科学
✓ 已验证
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2025
·
IF 19
Yiping He,Tangli Chen,Yuelin Zhang,Yule Shi,Liang Yu,Yurui Hao,Yuchen Tan,Qinyu Shi,Zihao Cai,Hao Liu,Chengshan Xu,Nao Kobayashi,Yue Qiu,Gaolong Zhu,Shigeaki Yamazaki,Junxian Hou,Xuning Feng,Languang Lu,Terada Junpei,Minggao Ouyang
High-nickel lithium-ion batteries are known for their high energy density, but face severe safety challenges. The initial heat and gas accumulation originate from the highly reductive lithiated anode at the anode-electrolyte interface within the cell, which finally triggers the intensive exothermic reactions. Herein, an ethylene carbonate-less (EC-less) electrolyte endowed with a bianionic coordination solvation structure is designed, which significantly enhances the thermal stability of LiNi0.8Co0.1Mn0.1O2|graphite (NCM811|Gr) pouch cells by mediating anode-electrolyte interfacial reactions. This bianionic structured EC-less electrolyte demonstrates superior reductive stability against the highly reactive lithiated anode, as evidenced by its elevated lowest unoccupied molecular orbital (LUMO) energy level. Material-level thermal analysis confirms that EC-less electrolyte markedly manipulates the electrolyte reduction reactions, achieving a 29.7% reduction in heat release (−225.5 J g −1 ) relative to conventional electrolyte (−320.8 J g −1 ). Further validation using 1 Ah NCM811|Gr pouch cells demonstrates that EC-less electrolyte enables the cell to maintain thermal inertness at 180 °C for 40 min, whereas a conventional cell experiences intensive thermal runaway at 160 °C. Furthermore, EC-less electrolyte facilitates the formation of an inorganic-rich interphase, and the pouch cell exhibits excellent electrochemical performance. This research highlights the potential of interfacial reaction engineering for safer high-nickel lithium batteries.
研究领域:
储能
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电化学
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材料科学
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电池技术
✓ 已验证
DOI
高影响因子
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