A5088872319- Advancements in Battery Materials
- Quantum Dots Synthesis And Properties
- Chalcogenide Semiconductor Thin Films
- Advanced Battery Materials and Technologies
- Advanced Condensed Matter Physics
- Graphene research and applications
- Magnetic and transport properties of perovskites and related materials
- Metal and Thin Film Mechanics
- Inorganic Chemistry and Materials
- Advanced Semiconductor Detectors and Materials
- Multiferroics and related materials
- Boron and Carbon Nanomaterials Research
- High-pressure geophysics and materials
- Hydrogen Storage and Materials
- Inorganic Fluorides and Related Compounds
- Perovskite Materials and Applications
- Semiconductor materials and devices
- Superconducting Materials and Applications
- Solid-state spectroscopy and crystallography
- Superconductivity in MgB2 and Alloys
- MXene and MAX Phase Materials
- Supercapacitor Materials and Fabrication
- Extraction and Separation Processes
- Quantum and electron transport phenomena
- Advanced Chemical Physics Studies
Northeast Electric Power University
2017-2024
Electric Power University
2018
Institute of Atomic and Molecular Sciences, Academia Sinica
2013
Jilin University
2010-2011
State Key Laboratory of Superhard Materials
2010
The Li[Li0.23Co0.3Mn0.47]O2 cathode material was prepared by a sol−gel method. Combinative X-ray diffraction (XRD) and Raman scattering studies showed that the solid solution rather than composite of nano Li2MnO3 LiCoO2. had high discharge capacity 250 mAh g−1 in voltage window 2.0−4.8 V. However, retention poor. different electrochemical mechanisms first charge subsequent cycles. Galvanostatic intermittent titration technique (GITT) study Li+ diffusion coefficients during were as small...
We present first-principles calculations of silicene/graphene and germanene/graphene bilayers. Various supercell models are constructed in the order to reduce strain lattice-mismatched bilayer systems. Our energetics analysis electronic structure results suggest that graphene can be used as a substrate synthesize monolayer silicene germanene. Multiple phases single crystalline germanene with different orientations relative could coexist at room temperature. The weak interaction between...
Two-dimensional metallic electrode materials with high energy density and excellent rate capability are crucial in rechargeable ion batteries. In this work, two-dimensional V2N MXene monolayer has been predicted to be an attractive candidate anode material for lithium, sodium, magnesium batteries by first-principles calculations. We observe that is a compound. The diffusion barriers on 0.025, 0.014, 0.004, 0.058 eV Li, Na, K, Mg ions, respectively, which rather low the state-of-the-art...
A carbon-coated Mg0.5Ti2(PO4)3 polyanion material was prepared by the sol-gel method and then studied as negative electrode materials for lithium-ion sodium-ion batteries. The showed a specific capacity of 268.6 mAh g-1 in voltage window 0.01-3.0 V vs Na+/Na0. Due to fast diffusion Na+ NASICON framework, exhibited superior rate capability with 94.4 at current density 5A g-1. Additionally, 99.1% retention achieved after 300 cycles, demonstrating excellent cycle stability. By comparison,...
Systematic first-principles calculations based on the density functional theory are carried out to discuss crystal and electronic structures of LiMSO4F/MSO4F (M = Fe, Co, Ni) systems. It is shown that all LiMSO4F compounds in a high spin antiferromagnetic ground state. However, they transform different states with Li+ extraction. LiFeSO4F typical Mott-Hubbard insulator then transforms charge-transfer The theoretical intercalation voltages 3.54 (Fe), 4.73 (Co), 5.16 V (Ni), respectively,...
Although it is well known that hydrogen bonds commonly exist in ammonia clusters and play an important role, there are still many challenges understanding the electronic structure properties of bonds. In this paper, geometric cyclic investigated by using first-principles density functional theory (DFT) Møller–Plesset perturbation (MP2). The calculation results show pentamer hexamer have deviated from perfect plane, while trimer tetramer present planarization has been confirmed infrared (IR)...
Systematic first-principles calculations are designed to investigate the interaction between isolated S8, lithium polysulfide (PS) Li2S n (n = 1-8, at different lithiated stages) clusters and two-dimensional (2D) graphdiyne (GDY) materials. By of their detailed interaction, we 2D GDY ability trapping PS in order evaluate anchoring effect materials for lithium-sulfur batteries. The theoretical results show that intermediates/B-GDY systems have a moderate binding energy, indicating B-GDY...
Two new monoclinic <italic>P</italic>1̄-CaN<sub>3</sub> and <italic>C</italic>2/<italic>m</italic>-CaN<sub>3</sub> are predicted to become energetically stable under low pressure. For the first time, we identify one novel phase featuring charged “N<sub>6</sub>” chain in structure.
We identified for the first time ground-state structures of MnN<sub>2</sub>, TaN<sub>2</sub>, NbN<sub>2</sub>, VN<sub>2</sub>, ZrN<sub>2</sub> and HfN<sub>2</sub> pernitrides proposed their synthesis pressures.
Rich husks are used as the raw material for preparation of silicon nanoparticles from an aluminothermic reduction process. The synthetic process is conducted on a low temperature condition, avoiding large energy consumption resulting high operation course. fabricated has porous structure with average particle size approximately 30 nm. unique triggers pronounced electrochemical behavior Li alloy/de-alloy reaction. delivers initial discharge and charge capacity 3844.7 mAh g−1 3144.4 at current...
First-principles calculations were employed to investigate the impact of quantum ionic fluctuations and lattice anharmonicity on crystal structure superconductivity Pm3̄ AlM(M = Hf, Zr)H6 at pressures 0.3–21.2 GPa (AlHfH6) 4.7–39.5 (AlZrH6) within stochastic self-consistent harmonic approximation. A correction is predicted for parameters, phonon spectra, superconducting critical temperatures, previously estimated without considering assuming approximation dynamics. The findings suggest that...
First-principles calculations are employed to explore the influence of quantum ionic fluctuations and lattice anharmonicity on crystal structure superconductivity Fm-3m I43d NbH3 under pressures ranging from 100 300 GPa for Fm-3m-NbH3 187 I43d-NbH3, employing stochastic self-consistent harmonic approximation. The study predicts corrections parameters, phonon spectra, phase transition order high pressure. Our calculations, based approximation method that extends beyond perturbation theory...