A5100660717- Metal-Organic Frameworks: Synthesis and Applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Magnetism in coordination complexes
- Advancements in Battery Materials
- Crystallography and molecular interactions
- Advanced Battery Materials and Technologies
- Topology Optimization in Engineering
- Synthesis and Properties of Aromatic Compounds
- Organic Electronics and Photovoltaics
- Boron and Carbon Nanomaterials Research
- Advanced Multi-Objective Optimization Algorithms
- Covalent Organic Framework Applications
- MXene and MAX Phase Materials
- Asymmetric Hydrogenation and Catalysis
- Carbon dioxide utilization in catalysis
- Catalytic Processes in Materials Science
- Advanced Battery Technologies Research
- Composite Structure Analysis and Optimization
- Graphene research and applications
- Porphyrin and Phthalocyanine Chemistry
- Luminescence and Fluorescent Materials
- Advanced Photocatalysis Techniques
- Polyoxometalates: Synthesis and Applications
- Advanced Combustion Engine Technologies
Xi'an University of Science and Technology
2016-2025
University of Manchester
2024
Qingdao University of Science and Technology
2009-2024
Bioscience (China)
2024
Guilin University of Technology
2024
Nanjing University
2023-2024
Zhejiang University
2024
Shenyang University of Technology
2024
Materials Science & Engineering
2021-2024
Harbin Institute of Technology
2019-2023
Unravelling the electrocatalytic activity origins of bimetallic nanomaterials is great importance, yet fundamentally challenging. One main reasons for this that interactive contributions from geometric and electronic effects to enhancements in reaction are difficult distinguish one another. Here, on well-defined Ru–Pt core–shell (Ru@Pt) homogeneous alloy (RuPt) model electrocatalysts, we able isolate these two effects. Furthermore, observe dominant role strain intrinsic alkaline hydrogen...
Abstract Graphite anodes show great potential for potassium storage, however, their capacity fades quickly owing to substantial interlayer expansion/shrinkage (i.e., up 60%) induced structural degradation. Here, Ti 3 C 2 T x MXene nanosheets are used as a fast electron/potassium‐ion dual‐function conductor construct the framework of all‐integrated graphite nanoflake (GNF)/MXene (GNFM) electrodes. The continuous constructs 3D channel transfer and endows GNFM electrodes with high stability....
Clar's aromatic sextet rule has been widely used for the prediction of reactivity and stability polycyclic hydrocarbons with a closed-shell electronic configuration. Recent advances in open-shell biradicaloids have shown that number rings plays an important role determination their ground states. In order to test validity this singlet biradicaloids, two soluble stable dibenzoheptazethrene isomers DBHZ1 DBHZ2 were prepared by different synthetic approaches isolated crystalline form. These...
Correct modeling of framework flexibility plays a major role in obtaining accurate results when performing atomistic simulations guest molecule diffusion within ZIF crystal structures. Here we present full set force field parameters, based on the AMBER database and previously computed partial charges, well reproducing ZIF-8 structural properties over wide range temperatures pressures. To test our model, self-diffusivity for sorbed carbon-dioxide is found to be good agreement with...
Abstract An unsymmetrically protonated PN 3 ‐pincer complex in which ruthenium is coordinated by one nitrogen and two phosphorus atoms was employed for the selective generation of hydrogen from formic acid. Mechanistic studies suggest that imine arm participates acid activation/deprotonation step. A long life time 150 h with a turnover number over 1 million achieved.
Premature deterioration in semi-rigid base asphalt pavement is still considered as one of the main distress related to Chinese highway pavements. There are several reasons for this premature damage and these include poor design construction, a sudden increase traffic loading dynamic overloaded heavy truck. This paper investigated effect vehicle speed overload on response well service life with typical functional requirements. The study involved simulating critical stress–strain at bottom...
Engineering the structural flexibility of metal–organic framework (MOF) materials for separation-related applications remains a great challenge. We present here strategy mixing rigid and soft linkers in MOF structure to achieve tunable flexibility, as exemplified series stable isostructural Zr-MOFs built with natural C4 (fumaric acid, succinic malic acid). As shown by differences linker bond stretching bending freedom, these MOFs display distinct responsive dynamics external stimuli, namely,...
Abstract In pursuit of novel adsorbents with efficient adsorptive gas storage and separation capabilities remains highly desired challenging. Although the documented zirconium‐tricarboxylate‐based metal–organic frameworks (MOFs) have displayed a variety topologies encompassing underlying geometry mismatch ones, employed organic linkers are exclusively rigid poorly presenting one type conformation in resultant structures. Herein, used semirigid tricarboxylate ligand H 3 TATAB was judiciously...
Bisindeno-annulated pentacenes 3a and 3b were synthesized by a simple regio-selective, FeCl3-mediated Scholl reaction from the corresponding 6,13-diaryl pentacene precursors. The fusion of two indeno-units dramatically changes electronic properties chemical reactivity obtained compounds exhibited exceptionally high photo-stability in solution, with half-life time 11.2 (3a) 32.0 (3b) days under ambient light air conditions. Ordered molecular packing small π-π stacking distance was observed...
Gate opening of zeolitic imidazolate frameworks (ZIFs) is an important microscopic phenomenon in explaining the adsorption, diffusion, and separation processes for large guest molecules. We present a force field, with input from density functional theory (DFT) calculations, molecular dynamics simulation on gate ZIF-8. The computed self-diffusivities sorbed C1 to C3 hydrocarbons were good agreement experimental values. observed sharp diffusion C2H6 C3H8 was elucidated by investigating...
Hydrogenation of esters under mild conditions was achieved using air-stable ruthenium PN3-pincer complexes containing an aminophosphine arm. High efficiency even in the presence water. DFT studies suggest a bimolecular proton shuttle mechanism which allows H2 to be activated by relatively stable catalyst with reasonably low transition state barrier.
Antiaromatic bisindeno-[<italic>n</italic>]thienoacenes with small biradical character were synthesized and showed chain length dependent ground states physical properties.
Acene-based materials have promising applications for organic electronics but the major constrain comes from their poor stability. Herein a new strategy to stabilize reactive acenes, by fusion of an anti-aromatic pentalene unit onto zigzag edges two acene units form Z-shaped dimer, is introduced. The dimers are extremely stable and show small energy gap resulting intramolecular donor-acceptor interactions. X-ray crystallographic analysis revealed unique geometry one-dimensional slip-stack...
A novel solvate ionic liquid-derived solid polymer electrolyte was constructed for lithium metal batteries by incorporating a [Li(G 4 ) 1 ][TFSI] solution containing LiBOB as functional additive into the PVDF-HFP matrix.
A series of 2D transition metal borides (MBenes) are reported and their properties as anode materials for LIBs investigated.
Hierarchical rope-like structures based on Co-Fe layered double hydroxide (LDH) nanosheets were synthesized by the coprecipitation method from a hexagonal lyotropic liquid crystal (LLC) nanoreactor, and characterized X-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning (SEM), atomic force (AFM), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric (TG) inductively coupled plasma (ICP) analyses. It was found that LDH composed of with lateral size...
Pro-aromatic<bold>Thn-TIPS</bold>exhibits distinctly different physical properties from anti-aromatic<bold>Sn-TIPS</bold>.
Abstract One intriguing feature of many porous MOFs is their stimulus‐induced flexibility, which makes them unique compared to standard adsorbents. Here we propose an innovative concept achieve efficient kinetic separation species with similar properties by the mechanical fine‐tuning pore architecture flexible zeolitic imidazolate framework ZIF‐8. This unprecedented approach was applied one most challenging societally relevant separations: propylene and propane, vital importance in...
We characterise the elastic properties of molecular building blocks and how they impact mechanical soft porous crystals.