Publications by authors named "Naigen Zhou"

Article Synopsis
  • * A new approach was introduced using Gradient Boosted Regression (GBR) to model the relationship between physical variables and Li diffusion rates, allowing for inverse design of cathode materials with optimized properties.
  • * The study successfully identified new cathode materials (Ce-NCM and Li/Ni@Ce-NCM) with superior Li diffusion rates compared to previous targets, showcasing the potential for advanced materials design through computational techniques like the Universal Structure Predictor (USPEX) and DFT calculations.
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Building a stable cathode-electrolyte interface (CEI) is crucial for achieving high-performance layered metal oxide cathode materials LiNiCoMnO (NCM). In this work, a novel 4-fluorobenzene isocyanate (4-FBC) electrolyte additive that contains isocyanate and benzene ring functional groups is proposed, which can form robust and homogeneous N-rich and benzene ring skeleton CEI film on the cathode surface, leading to significant improvement in the electrochemical performance of lithium-ion batteries. Taking LiNiCoMnO (NCM523) as an example, the NCM523/SiO@Graphite pouch full cells with electrolytes containing a mass fraction of 1% 4-FBC additives demonstrate improved capacity retention after 200 cycles, retaining capacity retention rates of 81.

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Lithium metal is a highly promising anode for next-generation high-energy-density rechargeable batteries. Nevertheless, its practical application faces challenges due to the uncontrolled lithium dendrites growth and infinite volumetric expansion during repetitive cycling. Herein, a composite lithium anode is designed by mechanically rolling and pressing a cerium oxide-coated carbon textile with lithium foil (Li@CeO/CT).

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Si-based anode materials have a relatively high theoretical specific capacity and low operating voltage, greatly enhancing the energy density of rechargeable lithium-ion batteries (LIBs). However, their practical application is seriously hindered by the instability of active particles and anode electrodes caused by the huge swelling during cycling. How to maintain the stability of the charge transfer network and interface structure of Si particles is full of challenges.

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Fe O with high theoretical capacity (1007 mA h g ) and low cost is a potential anode material for lithium-ion batteries (LIBs), but its practical application is restricted by its low electrical conductivity and large volume changes during lithiation/delithiation. To solve these problems, Fe O @Ti C T composites were synthesized by a mussel-like modification method, which relies on the self-polymerization of dopamine under mild conditions. During polymerization, the electronegative group (-OH) on dopamine can easily coordinate with Fe ions as well as form hydrogen bonds with the -OH terminal group on the surface of Ti C T , which induces a uniform distribution of Fe O on the Ti C T surface and mitigates self-accumulation of MXene nanosheets.

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A total of 16 O3-type high-Ni ternary crystal structures with mirror symmetry were constructed based on the relative locations of Ni, Co, and Mn in order to design high operating voltage and high-capacity cathode materials for lithium-ion batteries. Transition states, powder X-ray diffraction (XRD) patterns, intercalation potentials, and (spin) electronic structures are computed and simulated based on first-principles calculations. The results show that the Li ion diffusion energy barrier, in the structure of the lowest energy counterpart a'aa', is only 0.

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Heterostructures can not only maintain/avoid the desired characteristics/defects of their monolayers, but also have synergistic effects due to the contribution of an internal electric field from the heterostructure interlayer. Hexagonal boron phosphide (h-BP) and VCS were constructed into heterostructure (h-BP/VCS) and homogeneous bilayers (Dh-BP and DVCS), which were studied comparatively for their storage performances as anodes for metal (Li/Na/Mg/Ca)-ion batteries (LIBs/NIBs/MIBs/CIBs) using first-principles. The h-BP/VCS can adsorb five layers of Mg atoms while Dh-BP cannot adsorb any Mg atoms; heterostructures with a maximum adsorption concentration are stable at room temperature, while Dh-BP structures are unstable in the same cases, which make Dh-BP unsuitable as LIB/NIB/MIB/CIB anodes.

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Germanium (Ge) has a high specific capacity when used as an alloying anode in lithium-ion batteries. However, a large volume of expansion that occurs during charging and discharging hampers its practical applications. In order to improve the stability of the alloying anode, a three-dimensional (3D) germanium/carbon porous composite was produced.

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The adsorption applications of MXene-based adsorbents have intensively investigated recently. However, the performance of MXene-based adsorbents has been largely limited owing to their lack of functional groups and adsorptive sites. Therefore, surface functionalization of MXene is an important route to achieve better performance for environmental adsorption.

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In this work, a highly efficient adsorbent based on ionic liquid functionalized MXene has been fabricated through the combination of mussel-inspired chemistry and Michael addition reaction. The surface of MXene was first coated with polydopamine (PDA) through self-polymerization of dopamine and the amino groups were introduced on the surface of MXene simultaneously. After that, the ene bond-containing ionic liquid was further immobilized on the surface of MXene-PDA to obtain MXene-PDA-IL.

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Multicomponent reactions (MCRs) have attracted broad interest for preparation of functional nanomaterials especially for the synthesis of functional polymers. Herein, we utilized an "old" MCR, the four-component Ugi reaction, to synthesize disulfide bond containing poly(PEG-TPE-DTDPA) amphiphilic copolymers with aggregation-induced emission (AIE) feature. This four-component Ugi reaction was carried out under rather mild reaction conditions, such as room temperature, no gas protection and absent of catalysts.

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Carbon nanotubes (CNTs) are a novel type of one-dimensional carbon nanomaterials that have been widely utilized for biomedical applications such as drug delivery, cancer photothermal treatment owing to their high surface area and unique interaction with cell membranes. However, their biomedical applications are still impeded by some drawbacks, including poor water dispersibility, lack of functional groups and toxicity. Therefore, surface modification of CNTs to overcome these issues should be importance and of great interest.

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Herein a simple and novel approach has been developed for surface modification of delaminate MXene with nano-mixed silver oxide which combined with mussel-inspired chemistry. Surface modification with dopamine as a secondary reaction platform for loading nano-silver compounds for removal of iodine was achieved. The internal structure and morphology were characterized by SEM and TEM.

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Fluorescence imaging and magnetic resonance imaging have been research hotspots for adjuvant therapy and diagnosis. However, traditional fluorescent probes or contrast agents possess insurmountable weaknesses. In this work, we reported the preparation of dual-mode probes based on mesoporous silica nanomaterials (MSNs), which were doped with an aggregation-induced emission (AIE) dye and Gd through a direct sol-gel method.

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As potential alternatives to conventional semiconductor quantum dots, fluorescent carbon quantum dots (CQDs) have received increasing research attention in biomedical fields owing to their splendid advantages of low cytotoxicity, strong fluorescence and excellent water dispersion. However, the preparation procedures of CQDs with designable chemical properties and functions are complicated and low efficient. In this work, we developed a facile, economical and straightforward strategy to prepare CQDs by a one-step thiol-ene click reaction between multiwalled carbon nanotubes (CNTs) and thiomalic acid (TA).

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MXenes, as a novel kind of two-dimensional (2D) materials, were first discovered by Gogotsi et al. in 2011. Owing to their multifarious chemical compositions and outstanding physicochemical properties, the novel types of 2D materials have attracted intensive research interest for potential applications in various fields such as energy storage and conversion, environmental remediation, catalysis, and biomedicine.

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Cellulose nanocrystals (CNCs) are a novel type of natural nanomaterials that have attracted tremendous research interest for various applications especially in the biomedical fields owing to their natural origin, biodegradable potential, remarkable biocompatibility and massive reactive hydroxyl groups. In this work, a novel strategy has been developed for fabrication of luminescent CNCs with aggregation-induced emission (AIE) feature for the first time through a facile one-step Ce(IV) redox polymerization for direct surface grafting of AIE dye (PhE) and hydrophilic monomer Poly(ethylene glycol) monomethyl ether acrylate (PEGMA) on CNCs. Various characterization techniques would demonstrate the successful preparation of resultant CNC-PhE-PEGMA with uniform nanoscale size, remarkable fluorescent properties and extremely low cytotoxicity.

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Developing highly active, non-noble-metal H -evolution catalysts is appealing yet still remains a great challenge in the field of electrocatalytic and photocatalytic H production. In this work, high quality transition-metal carbonitrides M CN (MXene) are investigated using well-defined density functional theory (DFT) calculations. The structural configurations, H-adsorption free energy (ΔG ) and charge transfer for bare, surface-terminated and transition-metal (TM)-modified M CNO are systematically studied.

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Fluorescent carbon nanoparticles (FCNs) have gradually become the most promising alternative candidates to other traditional fluorescent nanomaterials for biological applications on account of their excellent fluorescence property and remarkable biocompatibility. Although many methods have reported on the preparation of FCNs, to date, no studies have reported the preparation of polymers of functionalized FCNs. A high-efficiency method was developed in this work to synthesize high-quality poly(ethylene oxide) (PEG)-functionalized FCNs from cigarette ash and thiol group-containing PEG via a facile one-pot ultrasonic irradiation treatment.

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Graphene quantum dots (GQDs), as a kind of carbon dots with the structure of graphene, possess fascinating properties of both carbon dots and graphene have attracted increasing attention for various applications especially in the biomedical fields. It is therefore, many methods for preparation of GQDs have been developed over the last decade. However, most of the previous reports are required tedious experimental procedure and hazardous agents.

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Carbon nanotubes (CNTs) are novel carbon composites that have received extensive research attention for biomedical applications thanks to their excellent cell membrane penetration capability and large specific surface areas. Nevertheless, the poor dispersibility in aqueous solution still perplexes the biomedical applications of CNTs. Although, there are many researched about that modify hydrophilic polymers to the surface of CNTs, facile and efficient strategies are still highly desirable to be developed.

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Due to their excellent chemical stability and remarkable biocompatibility, nanodiamonds (NDs) have received widespread research attention by the biomedical field. The excellent water dispersibility of NDs has significant importance for biomedical applications. Therefore, surface modification of NDs with hydrophilic polymers has been extensively investigated over the past few decades.

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The mass production of single-structure, single-wall carbon nanotubes (SWCNTs) with identical properties is critical for their basic research and technical applications in the fields of electronics, optics and optoelectronics. Great efforts have been made to control the structures of SWCNTs since their discovery. Recently, the structure separation of SWCNTs has been making great progress.

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Surfactants or polymers are usually used for the liquid processing of carbon nanotubes for their structure separation. However, they are difficult to remove after separation, affecting the intrinsic properties and applications of the separated species. Here, we report an ethanol-assisted gel chromatography for the chirality separation of single-walled carbon nanotubes (SWCNTs), in which ethanol is employed to finely tune the density/coverage of sodium dodecyl sulfate (SDS) on nanotubes, and thus the interactions between SWCNTs and an allyl dextran-based gel.

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