A5071475197- Organic Light-Emitting Diodes Research
- Luminescence and Fluorescent Materials
- Organic Electronics and Photovoltaics
- Advanced Photocatalysis Techniques
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Advancements in Battery Materials
- Advanced Battery Technologies Research
- Advanced Battery Materials and Technologies
- Perovskite Materials and Applications
- Gas Sensing Nanomaterials and Sensors
- Electrocatalysts for Energy Conversion
- Machine Learning in Materials Science
- Laser-Ablation Synthesis of Nanoparticles
- Covalent Organic Framework Applications
- MXene and MAX Phase Materials
- Catalytic Processes in Materials Science
- Copper-based nanomaterials and applications
- ZnO doping and properties
- Conducting polymers and applications
- Advanced Nanomaterials in Catalysis
- Quantum Dots Synthesis And Properties
- 2D Materials and Applications
- Luminescence Properties of Advanced Materials
- Advanced Memory and Neural Computing
Chinese Academy of Sciences
2018-2025
Institute of Solid State Physics
2020-2025
University of Science and Technology of China
2020-2025
Peking University
2022-2025
Art Institute of Portland
2023-2025
Battery Park
2025
Beijing National Laboratory for Molecular Sciences
2018-2024
Hefei Institutes of Physical Science
2020-2024
Handan College
2024
University of Chinese Academy of Sciences
2018-2024
The spontaneously formed passivation layer, the solid electrolyte interphase (SEI) between electrode and electrolyte, is crucial to performance durability of Li ion batteries. However, transport mechanism in major inorganic components SEI (Li2CO3 LiF) still unclear. Particularly, whether introducing an amorphous environment beneficial for improving diffusivity under debate. Here, we investigate diffusion LiF Li2CO3 via machine-learning-potential-assisted molecular dynamics simulations. Our...
To improve the power conversion efficiencies for organic solar cells, it is necessary to enhance light absorption and reduce energy loss simultaneously. Both lowest singlet (S1) triplet (T1) excited states need energertically approach charge-transfer state in exciton dissociation by recombination. Meanwhile, S1 needs be decreased broaden absorption. Therefore, imperative singlet-triplet gap (ΔEST ), particularly narrow-bandgap materials that determine device T1 energy. Although maximizing...
Abstract Contradiction between no effective photophysical experiments and high device results causes the “hot exciton” thermally activated delayed fluorescence (TADF) mechanism to be still a controversial question. Here, steady transient characterization combined with theoretical calculation based on 4,7‐bis(9,9‐dimethyl‐9H‐fluoren‐2‐yl)‐5,6‐difluorobenzo [c][1,2,5]thiadiazole (2F‐BTH‐DMF), 4,7‐bis(9,9‐dimethyl‐9H‐fluoren‐2‐yl)benzo[c][1,2,5]thiadiazole (BTH‐DMF),...
Three highly efficient blue thermally activated delayed fluorescence (TADF) emitters have been synthesized based on pyrimidine, 2-methylpyrimidine and 2-phenylpyrimidine as the acceptor 10<italic>H</italic>-spiro[acridan-9,9′-fluorene] donor moiety.
Thermally activated delayed fluorescence (TADF) is dictated by the properties of lowest singlet (S1) and triplet (T1) excited states. Both small energy difference (ΔEST) large spin–orbit coupling (SOC) between S1 T1 are desired to increase rate for reverse intersystem crossing (RISC). In this work, we investigated ground- excited-state electronic three representative D–(π)–A type TADF molecules in solid phase means a self-consistent quantum-mechanics/embedded-charge (QM/EC) approach, which...
Both the molecular orientation and conformation of thermally activated delayed fluorescence (TADF) emitter molecules that are doped in host matrix crucial to determine performance TADF-based organic light-emitting diodes (OLEDs). However, amorphous packing prohibits observation structural details at atomic accuracy by experimental techniques. Here, using atomistic dynamics simulations, we have uncovered deposition process arrangements a representative donor–acceptor (D–A)-structured TADF...
Abstract Pure organic room‐temperature phosphorescence (RTP) and luminescence from nonconventional luminophores have gained increasing attention. However, it remains challenging to achieve efficient RTP unorthodox luminophores, on account of the unsophisticated understanding emission mechanism. Herein, we propose a strategy realize in through incorporation lone pairs together with clustering effective electronic interactions. The former promotes spin‐orbit coupling boosts consequent...
The voltage-window expansion can increase the practical capacity of LixCoO2 cathodes, but it would lead to serious structural degradations and oxygen release induced by transition metal (TM) migration. Therefore, is crucial understand dynamic correlations between TM migration dimer formation. Here, machine-learning-potential-assisted molecular dynamics simulations combined with enhanced sampling techniques are performed resolve above question using a representative CoO2 model. Our results...
Abstract High interfacial resistance between electrodes and solid‐state electrolyte is the major cause for failure of all‐solid‐state Li‐ion batteries. Spontaneous (electro)chemical reactions poor diffusion at interfaces are closely related to this increased impedance. Although introducing a coating layer can mitigate structural reconstruction, it may also lead diffusion. Balancing trade‐off therefore crucial design materials. In study, impact amorphous LiF (a‐LiF) on reconstruction LiCoO 2...
Benefiting from the significantly improved energy density and safety, all-solid-state lithium batteries (ASSLBs) are considered to be one of most promising next-generation technologies. Their practical applications, however, strongly impeded by Li dendrite formation. Despite this recognized challenge, a comprehensive understanding nucleation formation mechanism remains elusive. In particular, initial locations still ambiguous: do clusters form directly at anode surface, inside bulk solid...
Abstract Four donor–acceptor–donor region isomers (2,3‐TXO‐PhCz, 2,6‐TXO‐PhCz, 2,7‐TXO‐PhCz, and 3,6‐TXO‐PhCz) are designed. The substitution positions of the two PhCz units significantly impact photophysical properties isomers, especially for singlet–triplet energy splitting (Δ E ST ) oscillator strength ( f ). 2,3‐TXO‐PhCz exhibits weak emission due to large steric hindrance units. While 3,6‐TXO‐PhCz all exhibit strong emission. four emitters possess small Δ 0.01–0.24 eV; corresponding...
Abstract The development of high‐efficient red thermally activated delayed fluorescent (TADF) materials is crucial to expanding their applications. Here, the acceptor reconstruction strategies bonding and fusing in donor–acceptor‐type modulate nonradiative deactivation process emission color for TADF emitters are presented. They applied design novel TXO‐b‐TPA TXO‐f‐TPA based on non‐red thioxanthone oxide (TXO) acceptor. Compared TXO‐based emitter TXO‐TPA, these enable red‐shifted (48–88 nm)...
Thermodynamic immiscibility is a challenge for intermetallic alloying of sub-5 nm Ru-based alloys, which are excellent electrochemical catalysts water splitting. In this study, nanosecond laser ultrafast confined (LUCA) proposed to break the immiscible-to-miscible transition limit in synthesis carbon nanotubes (CNTs) supported bimetallic RuM (M = Cu, Rh, and Pd) alloy nanoparticles (NPs). The non-noble metal Cu with varying atomic ratios RuCu alloys appealing owing low price cost-effective...