A5023299719- Advanced Chemical Physics Studies
- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Free Radicals and Antioxidants
- Boron and Carbon Nanomaterials Research
- Graphene research and applications
- Extraction and Separation Processes
- Molecular Junctions and Nanostructures
- Advanced Materials Characterization Techniques
- Radiation Detection and Scintillator Technologies
- Nuclear Physics and Applications
- Muon and positron interactions and applications
- Organometallic Complex Synthesis and Catalysis
- Photochemistry and Electron Transfer Studies
- Advanced Battery Technologies Research
- Luminescence Properties of Advanced Materials
- Gas Sensing Nanomaterials and Sensors
- Ammonia Synthesis and Nitrogen Reduction
- Catalytic Processes in Materials Science
- Luminescence and Fluorescent Materials
- Semiconductor materials and interfaces
- Inorganic Chemistry and Materials
- Semiconductor materials and devices
- Electron and X-Ray Spectroscopy Techniques
- Transition Metal Oxide Nanomaterials
Inner Mongolia University of Science and Technology
2019-2021
Jilin University
2017
Institute of Theoretical Physics
2017
Jilin Medical University
2017
Sandia National Laboratories
2015
University of New Mexico
2015
Inner Mongolia University of Technology
2006-2011
Chinese Culture University
2009
Owing to their natural abundance, the low potential, and cost of potassium, potassium-ion batteries are regarded as one alternatives lithium-ion batteries. In this work, we successfully fabricated a FeP/C composite, novel electrode material for PIBs, through simple productive high-energy ball-milling method. The delivers reversible capacity 288.9 mA·h·g–1 (2nd) at discharge rate 50 mA g–1, which can meet future energy storage requirements. Density functional theory calculations suggest lower...
Reasonable modification of ancillary ligands for Pt(<sc>ii</sc>) complexes can effectively improve the quantum efficiency and strengthen rigidity luminescent materials in organic light-emitting diodes.
The equilibrium geometries and energies of neutral BeSi(n) (n = 2-10) species their anions have been studied at the highest level Gaussian-3 (G3) theory. results reveal that ground-state structures these clusters are Be-encapsulated in silicon cages with n >or= 8. reliable adiabatic electron affinities predicted to be 1.68 eV for BeSi(2), 1.87 BeSi(3), 2.33 BeSi(4), 2.29 BeSi(5), 2.11 BeSi(6), 2.37 BeSi(7), 2.95 BeSi(8), 2.74 BeSi(9), 1.92 BeSi(10). dissociation Be atom from BeSi(n), Si...
Abstract High‐energy‐density and low‐cost lithium‐ion batteries are sought to meet increasing demand for portable electronics. In this study, a cobalt‐free Li(Li 0.17 Ni Fe Mn 0.49 )O 2 (LNFMO) cathode material is chosen, owing the reversible anionic redox couple O 2− /O − . The aim elucidate Fe‐substitution function oxygen mechanism of experimentally synthesized 0.16 0.19 0.18 0.46 by DFT. processes cobalt‐containing Co (LNCMO) compared with those LNFMO. Redox couples including 2+ /Ni 3+ 4+...
Potassium- and sodium-ion batteries (KIBs SIBs) have attracted wide attention due to abundant potassium sodium resources, low cost, high safety. Therefore, in this work, FeP as an anode material is selected study diffusions of Na/K using a density functional theory method order explain our experimental result that the rate performance FeP/C KIBs much better than SIBs. The SIBs related diffusion activation energies including interaction between migration energy barriers. Our calculations find...
TlBr is promising for g- and x- radiation detection, but suffers from rapid performance degradation under the operating external electric fields. To enable molecular dynamics (MD) studies of this degradation, we have developed a Stillinger-Weber type interatomic potential. During process, also addressed two problems wider interests. First, conventional potential format only applicable tetrahedral structures (e.g., diamond-cubic, zinc-blende, or wurtzite). Here modified analytical functions...
High-energy density and low-cost sodium-ion batteries are being sought to meet increasing energy demand. Here, R-MnO2 is chosen as a cathode material of owing its low cost high density. The structural transformation from the tunnel layered NaMnO2 electrochemical properties during charge/discharge investigated at atomic level by combining XRD related experiments. Na≤0.04MnO2 has phase structure, Na≥0.42MnO2 Na0.04-0.42MnO2 their mixed phase. Mn3+ 3d4[t2gβ3dz2(1)3dx2-y2(0)] in loses one 3dz2...
Binding energies ([Formula: see text], geometric and electronic structures for [[Formula: text]](O/[[Formula: text]]) additions of O atom on text])([Formula: text] − 10) single-walled carbon nanotubes with di-vacancies are studied using a GGA-PBE method, defect curvature text]) is used to predict reactivities different C—C bonds at area. Calculated results show that the can be divided into two types: broken corresponding adducts C—O—C configuration structure unbroken closed-3MR structure....
Bulk density is one of the most important formation parameters for evaluation. The radioisotope chemical sources are widely used in conventional nuclear logging tools. Considering security and environmental risks, pulsed neutron generators have successfully replaced Am-Be source porosity However, Cs-137 still mainly bulk measurement. physical process neutron-gamma (NGD) measurement more complicated than that GGD neutron-induced secondary gamma-ray cannot be considered as a "point" source....