A5032581044- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- 2D Materials and Applications
- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Quantum and electron transport phenomena
- Molecular Junctions and Nanostructures
- Advanced Battery Technologies Research
- Supercapacitor Materials and Fabrication
- MXene and MAX Phase Materials
- Semiconductor materials and devices
- Diamond and Carbon-based Materials Research
- Magnetic Properties and Synthesis of Ferrites
Hongzhiwei Technology (China)
2023-2024
Shanxi Normal University
2021
Tunneling magnetoresistance (TMR) and spin filtering effects in the magnetic tunnel junctions (MTJs) have drawn much attention for potential spintronic applications based on manipulation of electric transport. However, traditional MTJs cannot meet demand rapid miniaturization electronic components. Thus, van der Waals (vdW) with a few atomic layers stacked vertically are ideal candidates scale devices. In this work, by employing non-equilibrium Green's function combined density-functional...
Polyanionic Na2FePO4F is one of the most important cathode materials for sodium-ion batteries. The orthorhombic β-Na2FePO4F material has been studied extensively and intensively since it was proposed. In this article, a novel monoclinic sodium phosphate fluoride α-Na2FePO4F concerned. Kirsanova's experiment showed that Na Fe ions in are prone to antisite, leading strong antisite disorder. Through first-principle calculations, we show steric effect, magnetic exchange superexchange...
Out-of-plane deformation in graphene is unavoidable during both synthesis and transfer procedures due to its special flexibility, which distorts the lattice eventually imposes crucial effects on physical features of graphene. Nowadays, however, little known about this phenomenon, especially for zero-dimensional bulges formed In work, employing first-principles-based theoretical calculations, we systematically studied bulge effect geometric, electronic, transport properties We demonstrate...
Cathode coatings have received extensive attention due to their ability delay electrochemical performance degradation in lithium-ion batteries. However, the development of cathode possessing high ionic conductivity and good interfacial stability with materials has proven be a challenge. Here, we performed first-principles computational studies on phase stability, thermodynamic transport properties LiMXO4F (M-X = Al-P Mg-S) used as coatings. We find that candidate are thermodynamically...
We report the discovery of ultra-flatbands in twisted penta-hexa-carbon boron (PH-CB) bilayers, a finding with profound implications for condensed matter physics. Using first-principles calculations, we show that PH-CB bilayers exhibit an exceptionally narrow bandwidth 0.13 meV at distortion angle 9.6°, indicating robust electron correlation effects. This observation contrasts need tiny twist angles graphene to achieve similar The system, its indirect bandgap 2.11 eV, represents versatile...
AbstractBased on density functional theory (DFT) and nonequilibrium Green's function (NEGF) framework, to study the monolayer (ML) blue phosphorene (BlueP) doped with C along zigzag direction, such as structural stability, electronic transport properties. Interestingly, we found that doping engineering strategies can effectively transform ML ZBlueP into a spintronic nanodevice few unique Firstly, our model showed magnificently giant magnetoresistance (GMR) up 104 under low bias. Secondly,...
Using the first-principles method, formation energy values of O-vacancy clusters two Li-rich Mn-based ternary cathode materials lithium ion battery with different amounts nickel , i.e. Li<sub>1.2</sub>Ni<sub>0.32</sub>Co<sub>0.04</sub>Mn<sub>0.44</sub>O<sub>2</sub> (space group <inline-formula><tex-math id="M2">\begin{document}$R\bar{3}m)$\end{document}</tex-math><alternatives><graphic...
Li-rich antiperovskite materials are promising candidates as inorganic solid electrolytes (ISEs) for all-solid-state Li-ion batteries (ASSLIBs). However, the material faces several pressing issues its application, concerning phase stability and electrochemical of synthesized transport mechanism in it. Herein, we performed first-principles computational studies on stability, interfacial defect chemistry, electronic/ionic properties Li2OHBr material. The calculation results show that is...