A5025396508- 2D Materials and Applications
- Graphene research and applications
- Advanced Cellulose Research Studies
- MXene and MAX Phase Materials
- Lignin and Wood Chemistry
- Advanced biosensing and bioanalysis techniques
- Gas Sensing Nanomaterials and Sensors
- Photonic Crystals and Applications
- Perovskite Materials and Applications
- Wood Treatment and Properties
- Luminescence and Fluorescent Materials
- Gold and Silver Nanoparticles Synthesis and Applications
- Diamond and Carbon-based Materials Research
- Supercapacitor Materials and Fabrication
- Advanced battery technologies research
- Polysaccharides and Plant Cell Walls
- Architecture and Computational Design
- Lubricants and Their Additives
- Plasmonic and Surface Plasmon Research
- Surface Roughness and Optical Measurements
- Catalysis for Biomass Conversion
- Advanced Battery Technologies Research
- Force Microscopy Techniques and Applications
Wallenberg Wood Science Center
2021-2024
Linköping University
2021-2024
Photonics (United States)
2023
Wuhan Ship Development & Design Institute
2021
Guilin University of Electronic Technology
2016-2019
Chongqing University
2018
Understanding the microscopic mechanisms of regeneration cellulose is prerequisite for engineering and controlling its material properties. In this paper, we performed coarse-grained Martini 3 molecular dynamics simulations at a scale comparable to experiments. The X-ray diffraction (XRD) curves were monitored follow structural changes regenerated trace formation sheets crystallites. calculated morphologies backmapped atomistic ones. After backmapping find that structures both topology...
The sensing performances of pristine and X-doped phosphorene substrates (X = Al, Si, S atoms) toward the adsorption toxic gases HCN HNC were systematically investigated by first-principles simulations.
Aqueous organic redox flow battery (AORFB) is a technological route towards the large-scale sustainable energy storage. However, several factors need to be controlled maintain AORFB performance. Prevention of posolyte and negolyte cross-contamination in asymmetric AORFBs, one main causes capacity decay, relies on their membranes' ability prevent migration redox-active species between two electrolytes. The barrier properties are often traded for reduction ionic conductivity which crucial...
Abstract The Martini coarse-grained force field is one of the most popular models for molecular dynamics (MD) modelling in biology, chemistry, and material science. Recently, a new version, 3, had been reported with improved interaction balance many bead types. Here, we present cellulose nanocrystal (CNC) model based on 3. calculated CNC structures, lattice parameters, mechanical properties reproduce experimental measurements well provide an improvement over previous models. Then, surface...
Transparent wood (TW), a biocomposite material demonstrating optical transparency in the visible range, has attracted much interest recent years due to great potential for ecofriendly applications, instance, construction industry and functionalized organic materials. Optical properties of TW, including haze, depend on particular structure cellulose‐based backbone compound, (mis‐)matching refractive indices (RIs) between TW compounds, polymer matrix. Although there are data cellulose RIs...
After the discovery of graphene, considerable researches have been studied to search its superior performance. In this work, adsorption behaviors sulfureted hydrogen (H2S) on pristine, tungsten (W), chromium (Cr) and copper (Cu)-doped graphene has explored in paper by means first-principles calculations based density-functional theory (DFT). We calculated shortest distance between gas molecule doped atoms, transfer charge, energy, density states systems. get conclusion that dopes with...
Here, we propose a phosphorene/Au nanomaterials SPR sensor model and quantitatively investigate the sensitivity (S <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">n</sub> ) detection accuracy (D sensing performances. We provide fundamental insights of sensors further explore its layer-dependent characteristics. Furthermore, optical property changes induced by lattice expansions for photothermal effects are weak interference to predict that...
Abstract 3D non-equilibrium molecular dynamics simulations are performed to investigate the friction characteristic of Fe-Fe tribopair system under third medium condition. A sliding simulation model with soft (Cu nanoparticle) is built. The Friction force, evolution structure interface and temperature profiles obtained. influence velocity change investigated. Cu nanoparticle microstructure extremely concerned. results show that can decrease force average relatively low (25m/s). However, high...