A5100726880- DNA and Nucleic Acid Chemistry
- Spectroscopy and Quantum Chemical Studies
- Photochemistry and Electron Transfer Studies
- 2D Materials and Applications
- Advanced biosensing and bioanalysis techniques
- Multiferroics and related materials
- Advanced Chemical Physics Studies
- Molecular Junctions and Nanostructures
- bioluminescence and chemiluminescence research
- MXene and MAX Phase Materials
- ZnO doping and properties
- Radiation Detection and Scintillator Technologies
- Magnetic and Electromagnetic Effects
- Molecular Sensors and Ion Detection
- Luminescence and Fluorescent Materials
- Nuclear Physics and Applications
- Environmental Quality and Pollution
- Stroke Rehabilitation and Recovery
- Hydrogen Storage and Materials
- Protein Structure and Dynamics
- Modular Robots and Swarm Intelligence
- DNA and Biological Computing
- Particle Detector Development and Performance
- Photoreceptor and optogenetics research
- Advanced Condensed Matter Physics
Shandong Academy of Sciences
2024
Qilu University of Technology
2024
Yantai Academy of Agricultural Sciences
2024
Wuhan University
2023
Dalian Institute of Chemical Physics
2018-2020
Chinese Academy of Sciences
2018
Dalian University
2018
China University of Petroleum, East China
2016
The University of Tokyo
2015
Jilin University
2008
Two-dimensional (2D) nanosheet arrays with unidirectional orientations are of great significance for synthesizing wafer-scale single crystals. Although efforts have been devoted, the growth atomically thin magnetic and crystals is still unaddressed. Here we design an interisland-distance-mediated chemical vapor deposition strategy to synthesize centimeter-scale Fe3O4 on mica. The alignment nearly all nanosheets driven by a dual-coupling-guided mechanism. Fe3O4/mica interlayer interaction...
Magnetic materials in 2D have attracted widespread attention for their intriguing magnetic properties. heterostructures can provide unprecedented opportunities exploring fundamental physics and novel spintronic devices. Here, the heteroepitaxial growth of ferromagnetic CuCr2 Te4 nanosheets is reported on Cr2 Te3 mica by chemical vapor deposition. Magneto-optical Kerr effect measurements reveal thickness-dependent ferromagnetism mica, where a decrease Curie temperature (TC ) from 320 to 260 K...
2D magnetic materials have been of interest due to their unique long-range ordering in the low-dimensional regime and potential applications spintronics. Currently, most studies are focused on strippable van der Waals with layered structures, which typically suffer from a poor stability scarce species. Spinel oxides good environmental rich properties. However, isotropic bonding close-packed nonlayered crystal structure make growth challenging, let alone phase engineering. Herein,...
As security needs have increased, mechanism investigation has become of high importance in the development new sensitive and selective chemosensors for chemical explosives.
2D ferromagnetic chromium tellurides exhibit intriguing spin configurations and high-temperature intrinsic ferromagnetism, providing unprecedented opportunities to explore the fundamental physics build spintronic devices. Here, a generic van der Waals epitaxial approach is developed synthesize ternary tellurium compounds with thicknesses down mono-, bi-, tri-, few-unit cells (UC). The Mn0.14 Cr0.86 Te evolves from behavior in bi-UC, tri-UC, few-UC temperature-induced ferrimagnetic as...
Abstract In symmetry‐adapted perturbation theory (SAPT), accurate calculations on non‐covalent interaction (NCI) for large complexes with more than 50 atoms are time‐consuming using basis sets. More efficient ones smaller sets usually result in poor prediction terms of dispersion and overall energies. this study, we propose two composite methods baseline calculated at SAPT2/aug‐cc‐pVDZ SAPT2/aug‐cc‐pVTZ term corrected SAPT2+ level bond functions set MP2 corrections respectively. Benchmark...
Gel permeation chromatography coupled with light scattering (GPC-LS) is among the most common methods for determining molar masses of polymers. GPC-LS widely used in polymer science research and has been adopted many industrial applications owing to its high sensitivity, accuracy, precision. The determination using an important experimental component "Polymer Physics Experiments" course. However, present teaching content tends be overly simplistic lacking depth. Herein, original expanded...
Abstract The ground and excited state properties of luciferin (LH 2 ) oxyluciferin (OxyLH ), the bioluminescent chemicals in firefly, have been characterized using density functional theory (DFT) time dependent DFT (TDDFT) methods. effects solvation on electronic absorption emission spectra were predicted with a self‐consistent isodensity polarized continuum model solvent TDDFT. S 0 →S 1 vertical excitation energies gas phase water obtained. Optimizations geometries permitted first...
The technology of in situ immobilization with amendments is an important measure that remediates the soil contaminated by heavy metal, and selecting economical effective modifier key. effects mechanism steel slag, silicon-rich alkaline by-product which can remediate acidic are mainly introduced this paper to provide theory inferences for future research. Firstly, analyzes current research situation amendments. Then, it introduces main physicochemical properties effect on pH value as well...
In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the are important determining emission spectra. Analysis these bonds suggests mechanism whereby restrict more or less excit-ed produce multicolor bioluminescence.
Base-stacked structure is an important feature of DNA molecules. Previous studies on the stacking effect concerning DNA-mediated hole transfer have revealed influence neighboring bases onsite energies. But base acts only in a short-distance. Besides it, long-range (longer than three pairs) called squeezing this paper has not yet been reported. Such causes near middle sequence consisting same type pairs lower energies terminals. We predict it by H ̈uckelanalysis unconventional way and...
Base-stacked structure is an important feature of DNA molecules. Previous studies on the stacking effect concerning DNA-mediated hole transfer have revealed influence neighboring bases onsite energies. But base acts only in a short-distance. Besides it, long-range (longer than three pairs) called squeezing this paper has not yet been reported. Such causes near middle sequence consisting same type pairs lower energies terminals. We predict it by H ̈uckelanalysis unconventional way and...
In this manuscript, we presented a theoretical method which allows one to gain the snapshot of transient charge delocalization structure fluctuating DNA. It avoided subjective observation on graphical representations density or molecular orbital. Instead, it is formulaic and programmable. By virtue it, built model for concept so-called delocalized domain, has been proposed by different experimental scientists so as interpret confusing non-monotonic distance dependence DNA-mediated transfer...
Base-stacked structure is an important feature of DNA molecules. But dynamics study on the influences stacking effects charge transfer in yet rare.In this article, a general rule about relationship onsite energies same bases stack derived by H ̈uckel theory. It found that base middle position has lower energy than at terminals due to squeezing effect, which different from previous studied neighboring effect. The former along-range effect while latter acts short range. Semiempirical MNDO...
<p>In this manuscript, we presented a theoretical method which allows one to gain the snapshot of transient charge delocalization structure fluctuating DNA. It avoided subjective observation on graphical representations density or molecular orbital. Instead, it is formulaic and programmable. By virtue it, built model for concept so-called delocalized domain, has been proposed by different experimental scientists so as interpret confusing non-monotonic distance dependence DNA-mediated...
Base-stacked structure is an important feature of DNA molecules. But dynamics study on the influences stacking effects charge transfer in yet rare.In this article, a general rule about relationship onsite energies same bases stack derived by H ̈uckel theory. It found that base middle position has lower energy than at terminals due to squeezing effect, which different from previous studied neighboring effect. The former along-range effect while latter acts short range. Semiempirical MNDO...
In symmetry-adapted perturbation theory (SAPT), accurate calculations on non-covalent interaction for large complexes with more than 50 atoms are impractical using a basis set. The efficient smaller set, however, usually results in poor prediction terms of dispersion and overall energies. this study, we propose composite method baseline calculated at SAPT2/aug-cc-pVTZ term corrected SAPT2+ level set the canonical limit extrapolation techniques. Two point three schemes discussed, showed that...