Fabrication and Characterization of PMMA/MWCNTs Composite Materials

In order to improve the mechanical properties and thermal conductivity of polymethyl methacrylate(PMMA),multi-walled carbon nanotubes(MWCNTs)were used as reinforcement through in situ polymerization method to prepare PMMA/MWCNTs composites by changing the reaction time,polymerization temperature and the content of MWCNTs.The effects of different reaction conditions on the properties of the composites were studied.The results show that the mechanical properties,thermal/electrical conductivity and thermal stability of the composites are improved compared with the PMMA matrix.The tensile strength of the composites is increased by up to 24%.The bending strength of the composite material increases from20.41 to 68.04 MPa,and the maximum increase is 233%.Meanwhile,when the content of MWCNTs is 3 wt%,the thermal conductivity of the composite is 0.335 W/(m·K),which increases by138%,and the electrical conductivity is 3.94 S/m.The thermal stability of the composite has been significantly enhanced.The modified PMMA will be widely used in medicine,communications,electronics and other fields.

Preparation,Characterization and Photothermal Study of PVA/Ti_(2)O_(3) Composite Films

In this work,flexible photothermal PVA/Ti_(2)O_(3) composite films with different amount(0 wt%,5 wt%,10 wt%,15 wt%)of Ti_(2)O_(3) particles modified by steric acid were prepared by a simple solution casting method.The microstructures,XRD patterns,FTIR spectra,UV-Vis-NIR spectra thermo-conductivity,thermo-stability and photothermal effects of these composite films were all characterized.These results indicated that Ti_(2)O_(3) particles were well dispersed throughout the polyvinyl alcohol(PVA)matrix in the PVA/Ti_(2)O_(3) composite films.And Ti_(2)O_(3) particles could also effectively improve the photothermal properties of the composite films which exhibited high light absorption and generated a high temperature(about 57.4℃for film with 15 wt%Ti_(2)O_(3) amount)on the surface when it was irradiated by a simulated sunlight source(1 kW/m^(2)).

Biomass Homogeneity Reinforced Carbon Aerogels Derived Functional Phase-Change Materials for Solar–Thermal Energy Conversion and Storage

We deviseda functional form stable compositephase-change materials(PCMs)toachieve a three-dimensional(3D)interconnectedporous carbon aerogel structure for encapsulating polyethyleneglycol(PEG).Anovelhomogeneity reinforced carbonaerogel witha well-interconnected porous structure was constructed bycombining a flexible carbonresource from biomass guar gum with hard-brittle carbonfrom polyimide,to overcome severeshrinkage andpoor mechanical performance of traditionalcarbon aerogel.Thesupportingcarbon aerogel-encapsulated PEG produced thenovel composite PCMswithgood structure stability andcomprehensive energy storage performance.Theresults showed thatthecomposite PCMsdisplayed awell-defined 3Dinterconnected structure,and theirenergy storage capacities were 171.5 and169.5 J/g,which changed onlyslightlyafter 100 thermalcycles,andthe compositescould maintainthe equilibrium temperature at50.0−58.1℃ for about 760.3 s.The thermal conductivityofthe compositescould reach0.62 W m^(−1) K^(−1),which effectively enhanced the thermalresponse rate.And thecomposite PCMs exhibited good leakage-proof performance andexcellent light–thermal conversion.The compressive strengthof thecomposite PCMscan improveupto 1.602 MPa.Results indicatethatthisstrategy canbe efficiently usedtodevelop novel composite PCMswithimproved comprehensive thermalperformance and high light–thermal conversion.

Electronic and thermal properties of Ag-doped single crystal zinc oxide via laser-induced technique

The doping of ZnO has attracted lots of attention because it is an important way to tune the properties of ZnO.Postdoping after growth is one of the efficient strategies.Here,we report a unique approach to successfully dope the single crystalline ZnO with Ag by the laser-induced method,which can effectively further post-treat grown samples.Magnetron sputtering was used to coat the Ag film with a thickness of about 50 nm on the single crystalline ZnO.Neodymium-doped yttrium aluminum garnet(Nd:YAG)laser was chosen to irradiate the Ag-capped ZnO samples,followed by annealing at700℃for two hours to form ZnO:Ag.The three-dimensional(3D)information of the elemental distribution of Ag in ZnO was obtained through time-of-flight secondary ion mass spectrometry(TOF-SIMS).TOF-SIMS and core-level x-ray photoelectron spectroscopy(XPS)demonstrated that the Ag impurities could be effectively doped into single crystalline ZnO samples as deep as several hundred nanometers.Obvious broadening of core level XPS profiles of Ag from the surface to depths of hundred nms was observed,indicating the variance of chemical state changes in laser-induced Ag-doped ZnO.Interesting features of electronic mixing states were detected in the valence band XPS of ZnO:Ag,suggesting the strong coupling or interaction of Ag and ZnO in the sample rather than their simple mixture.The Ag-doped ZnO also showed a narrower bandgap and a decrease in thermal diffusion coefficient compared to the pure ZnO,which would be beneficial to thermoelectric performance.

Predicting novel atomic structure of the lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters:A new parameter for characterizing chemical stability

A series of novel atomic structure of lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters via density functional theory(DFT)calculations and an unbiased structure search using Crystal structure AnaLYsis by Particle Swarm Optimization(CALYPSO)code.Our research results show that the global minimum geometry structure of neutral Fe_(13-n)P_(n)(n=0-6)clusters tend to form cage structures but the lowest-energy Fe_(13-n)P_(n)(n=7-13)clusters are gradually evolution from a cage structure to a chain shape geometric structure.Their geometric structure should responsible for the raise of binding energy from Fe_7P_(6)to P_(13)clusters rather than chemical components.This is completely different from a linear relation of the binding energy with chemical components in our previous research for Cu_(n)Zr_(13-n)(n=3-10)clusters(J.Mol.Liq.343117603(2021)).Hence,in order to characterize the global chemical stability of target cluster,we proposed a new parameter(jyq=η/χ)that the chemical hardness of isolated cluster is used to be divided by its electronegativity.One of the biggest advantages of this parameter is successful coupling the ability of a resistance to redistribution of electrons and the ability to attract electrons from other system(such as atom,molecular or metallic clusters).Moreover,it is found that the P_(13)cluster shows typical insulator characteristics but the Fe_(12)P_(1)shows typical conductor characteristics,which phenomena can be attributed to the remarkable delocalized and localized electrons in Fe_(12)P_(1)and P_(13),respectively.In terms of nearly-free-electron mode,we also found that the number of electrons on Femi level(N(E_F))are obviously tended to toward a lower value when Fe was replaced gradually with P from Fe_(13)to P_(13),and a non-magnetic can be observed in Fe_(13),Fe_(2)P_(11),Fe_(1)P_(12),and P_(13)that mainly because their perfect symmetrical between spin-up and spin-down of density of states of electrons.

Ordered Macroporous MoS_(2)-Carbon Composite with Fast and Robust Sodium Storage Properties to Solve the Issue of Kinetics Mismatch of Sodium-Ion Capacitors

Metal-ion capacitors(including Li^(+),Na^(+),and K^(+))effectively combine a battery negative electrode capable of reversibly intercalating metal cations,together with an electrical double-layer positive electrode.However,such novel cell design has a birth defect,namely kinetics mismatch between sluggish negative electrode and fast positive electrode,thus limiting the energy-power performance.Herein,we design a MoS_(2)-carbon composite anode with the ordered macroporous architecture and interlayer-expanded feature,exhibiting the fast and reversible Na^(+)redox processes.This kinetically favored anode is coupled with a homemade activated carbon cathode that allows for the excellent electrochemical performance of sodiumion capacitor with respect to large specific capacity,high-rate capability,and robust cycling.Through quantification of the potential swings of anode and cathode via a three-electrode Swagelok cell,we for the first time observe the abnormal variation law of potential swings and thus directly providing the evidence that the kinetics gap has been filled up by this kinetically favored anode.Our results represent a crucial step toward understanding the key issues of kinetics mismatch for hybrid cell,thus propelling the development of design of kinetically favored anode materials for high-performance metalion capacitors.

Corrosion protection investigations of carbon dots and polydopamine composite coating on magnesium alloy

A composite coating of nitrogen-doped carbon dots(N–CDs)and polydopamine(PDA)was prepared on magnesium alloy by combining electrodeposition with dip coating methods.The microstructure of the N–CDs/PDA composite coating,including composition,surface morphology,and crystalline structure,is characterized by Raman spectroscopy,scanning electron microscopy,transmission electron microscopy,and X-ray photoelectron spectroscopy,respectively.The corrosion protection performances of the composite coating are evaluated by potentiodynamic polarization tests,electrochemical impedance spectroscopy,and salt spray tests.The effect of the particle size of the N–CDs on the corrosion performance is also investigated.The results show that the corrosion performance of the N–CDs coatings are enhanced with the increase of the particle sizes.Furthermore,an obvious self-healing performance is observed on the surface of the N–CDs/PDA composite coating.These results indicate that N–CDs/PDA composite coating can improve the corrosion performance of the Mg alloy,and open a new design direction for the protective coating of metallic materials.

Strong coupled spinel oxide with N-rGO for high-efficiency ORR/OER bifunctional electrocatalyst of Zn-air batteries

The high cost,scarcity,and poor stability of precious-metal-based catalysts have hindered their extensive application in energy conversion and storage.This stimulates the search for earth-abundant alternatives to replace noble metal electrocatalysts.Hence,in this study,we investigate a novel and low-cost bifunctional electrocatalyst consisting of ZnCoMnO_(4) anchored on nitrogen-doped graphene oxide(ZnCoMnO_(4)/N-rGO).Benefiting from the strong Co-N interaction in ZnCoMnO_(4) and the coupled conductive N-rGO,the catalysts exhibit high electrocatalytic activity.Moreover,density functional theory calculations support the dominant role of the strong Co-N electronic interaction,which leads to ZnCoMnO_(4)/N-rGO having more favorable binding energies with O2 and H_(2) O,resulting in fast reaction kinetics.The obtained ZnCoMnO_(4)/N-rGO electrocatalyst exhibits superb bifunctional activity,with a half-wave potential of 0.83 V for the oxygen reduction reaction and a low onset potential of 1.57 V for the oxygen evolution reaction in 0.1 M KOH solution.Furthermore,a Zn-air battery driven by the ZnCoMnO_(4)/N-rGO catalyst shows remarkable discharge/charge performance,with a power density of 138.52 mW cm^(-2) and longterm cycling stability for 48 h.This work provides a promising multifunctional electrocatalyst based on non-noble metals for the storage and conversion of renewable energy.

Synthesis of two new cage molecules containing trinitromethyl group

Two new cage compounds,4-trinitroethyl-10-nitro-2,6,8,12-tetraacetylhexaazaisowurtzitane（3） and 4-trinitroethyl- 2,6,8,10,12-pentanitrohexaazaisowurtzitane（4）,containing trinitromethyl group were synthesized by a novel method,and their structures were confirmed by IR,;H NMR,MS and single crystal X-ray.DSC result shows that compound 4 has surprising thermal stability and could be a potential energetic compound.

Formation Mechanism of a Y-modified Cr-Al Coating Co-deposited on DZ125 Alloy and Its High-temperature Oxidation Resistance

Y-modified Cr-Al coatings were co-deposited on DZ125 alloy by a pack cementation process,and the microstructures,constituent phases,and formation mechanisms of the obtained coatings were studied.The oxidation resistance of the coatings was also investigated.The experimental results show that the coating prepared by co-depositing Cr-Al-Y at 1050℃for 2 h has a multi-layered structure with an outer layer composed of Cr and Ni_(3)Cr_(2),a middle layer composed of Ni_(3)Cr_(2) and Al_(13)Co_(4),and an inner layer composed of Ni_(3)Al.The co-deposited Y is mainly present in the outer and middle layers of the coating.The coating formation process follows a sequential deposition mechanism in which Al is deposited during the initial stage,followed by Cr deposition.After oxidation at 1100℃for 100 h,a dense Cr_(2)O_(3)·Al_(2)O_(3) scale forms on the obtained coating,which effectively protects the DZ125 alloy from oxidation by preventing the inward diffusion of oxygen.

Studies on the Stability of On-top Al_(13)I_n^m(n=1～12,m=–1,0,+1) Clusters

Energetic and electronic structures of the on-top Al13In^m （n = 1 - 1 2, m = -1, 0, ＋1） clusters have been investigated by employing a first-principles pseudo-potential plane wave method. Several parameters such as binding energies, second differences of energy and vertical-electron detachment energies have been adopted to characterize and evaluate the structure stability of Al13In^- （n= 1 - 12） clusters. The optimized models show that the Al13 moieties in the clusters can not retain the original regular icosahedron structure. Results from binding energy and second difference of energy show that Al13In and Al13In^- clusters with even n are more stable than those with odd n in contrast with Al13In^＋ clusters. The calculation of vertical-electron detachment energies （VDE） of Al13In clusters indicates that Al13In and Al13In^- clusters with even n are closer to the closed shell of the Jellium model. Further analysis of electron density of states and electron density differences reveals that the enhanced stability of AI13In^- clusters is not only associated with the closed shell of valence electrons but also with the bonding type between I and associated AI atoms.

Improvement on electrochemical performances of nanoporous titania as anode of lithium-ion batteries through annealing of pure titanium foils

The effect of annealing of Ti foils before anodization on the morphology and electrochemical performance of resultant nanoporous anatase TiO2 （np-TiO2） as anode in rechargeable lithium-ion batteries （LIBs） was investigated. The np-TiO2 anode fabricated from annealed Ti foils exhibited higher specific surface area and reduced pore diameter compared to np-TiO2 electrode fabricated from as-received Ti foils. The highly porous np-TiO2 anode fabricated from annealed Ti foils exhibited 1st discharge capacity of 453.25 mAh/g and reduced to 172.70 mAh/g at 1 C current rate after 300 cycles; whilst the np-TiO2 electrode fabricated from the as-received Ti foils exhibited 1st discharge capacity of 213.30 mAh/g and reduced to 160.0 mAh/g at 1 C current rate after 300cycles. Even after 400cycles, such np-TiO2 electrode exhibited a reversible capacity of 125.0 mAh/g at 2.5 C current rate. Compared to the untreated Ti foils, the enhanced electro- chemical performance of np-TiO2 anode fabricated from annealed Ti foils was ascribed to the annealing- induced removal of residual stress among the Ti atoms. The benefit of annealing process can reduce pore size of as-fabricated np-TiO2.

Curie Temperature of the Intergranular Amorphous Phase in Nanocrystalline Fe_(89)Zr_7B_4 Alloy

The FeZrB amorphous alloys for simulating the intergranular amorphous phase in the nanocrystalline Fe 89 Zr 7B 4 soft magnetic materials were obtained by mechanical alloying of a mixture of elemental Fe, Zr and B powders for 25 h. It is shown that the Curie temperature of the simulated intergranular phase alloy is much lower than that of the intergranular phase with the same chemical composition in the nanocrystalline Fe 89 Zr 7B 4 alloy. The possible mechanism is mainly due to the strong ferromagnetic exchange force among the nanocrystalline α Fe grains.

Regulating Effect of Substrate Temperature on Sputteringgrown Ge/Si QDs under Low Ge Deposition

The effect of deposition temperature on the morphology and optoelectronic performance of Ge/Si QDs grown by magnetron sputtering under low Ge deposition(~4 nm)was investigated by atomic force microscopy,Raman spectroscopy,and photoluminescence(PL)tests.The experimental results indicate that temperatures higher than 750℃effectively increase the crystallization rate and surface smoothness of the Si buffer layer,and temperatures higher than 600℃significantly enhance the migration ability of Ge atoms,thus increasing the probability of Ge atoms meeting and nucleating to form QDs on Si buffer layer,but an excessively high temperature will cause the QDs to undergo an Ostwald ripening process and thus develop into super large islands.In addition,some PL peaks were observed in samples containing small-sized,high-density Ge QDs,the photoelectric properties reflected by these peaks were in good agreement with the corresponding structural characteristics of the grown QDs.Our results demonstrate the viability of preparing high-quality QDs by magnetron sputtering at high deposition rate,and the temperature effect is expected to work in conjunction with other controllable factors to further regulate QD growth,which paves an effective way for the industrial production of QDs that can be used in future devices.

Endoplasmic-reticulum-like catalyst coating on separator to enhance polysulfides conversion for lithium-sulfur batteries

Lithium-sulfur(Li-S)batteries with high theoretical specific energy of 2600 Wh kg^(-1) are one of promising candidates for next-generation energy storage devices.However,the severe shuttle effect of intermediate polysulfides leads to rapid capacity decay during battery cycling,especially at high sulfur loading and high current density.Herein,the MnO nanoparticles covered carbon with endoplasmic-reticulum-like structure(MnO@ERC)as separator coating for Li-S batteries is proposed.The MnO@ERC coating can act as upper current collector to enhance electrical conductivity of cathode and decrease the interface impedance of the whole battery.More importantly,both the polar MnO nanoparticles and Mn_(3)O_(4) formed at the end of the charging process can catalyze the conversion of lithium polysulfides,which is convinced by the high adsorption energy and the elongate S–S bond.As a result,Li-S batteries based on MnO@ERC coating separator showed stable cycle for 350 cycles under 0.5C,high discharge specific capacity of 783.6m Ah g^(-1) after 100 cycles at 0.2 C,534.7 m Ah g^(-1) after 100 cycles under the sulfur loading of 5.26 mg cm;and low self-discharge rate of 9.1%after resting 48 h..

Construction of hydrangea-like core-shell SiO_(2)@Ti_(3)C_(2)T_(x)@CoNi microspheres for tunable electromagnetic wave absorbers

Ti_(3)C_(2)T_(x)MXene shows great potential in the application as microwave absorbers due to its high attenuation ability.However,excessively high permittivity and self-stacking are the main obstacles that constrain its wide range of applications.To tackle these problems,herein,the microspheres of SiO_(2)@Ti_(3)C_(2)T_(x)@CoNi with the hydrangea-like core-shell structure were designed and prepared by a combinatorial electrostatic assembly and hydrothermal reaction method.These microspheres are constructed by an outside layer of CoNi nanosheets and intermediate Ti_(3)C_(2)T_(x)MXene nanosheets wrapping on the core of modified SiO_(2),engendering both homogenous and heterogeneous interfaces.Such trilayer SiO_(2)@Ti_(3)C_(2)T_(x)@CoNi microspheres are“magnetic microsize supercapacitors”that can not only induce dielectric loss and magnetic loss but also provide multilayer interfaces to enhance the interfacial polarization.The optimized impedance matching and core-shell structure could boost the reflection loss(RL)by electromagnetic synergy.The synthesized SiO_(2)@Ti_(3)C_(2)T_(x)@CoNi microspheres demonstrate outstanding microwave absorption(MA)performance benefited from these advantages.The obtained RL value was-63.95 dB at an ultra-thin thickness of 1.2 mm,corresponding to an effective absorption bandwidth(EAB)of 4.56 GHz.This work demonstrates that the trilayer core-shell structure designing strategy is highly efficient for tuning the MA performance of MXene-based microspheres.

Structural regulation of single-atom catalysts for enhanced catalytic oxidation performance of volatile organic compounds

The catalytic oxidation of volatile organic compounds(VOCs)is considered a feasible method for VOCs treatment by virtue of its low technical cost,high economic efficiency,and low additionally produced pollutants,which is of important social value.Singleatom catalysts(SACs)with 100%atom utilization and uniform active sites usually have high activity and high product selectivity,and promise a broad range of applications.Precise regulation of the microstructures of SACs by means of defect engineering,interface engineering,and electronic effects can further improve the catalytic performance of VOCs oxidation.In this review,we introduce the mechanisms of VOCs oxidation,and systematically summarize the recent research progress of SACs in catalytic VOCs total oxidation into CO_(2)and H_(2)O,and then discuss the effects of various structural regulation strategies on the catalytic performance.Finally,we summarize the current problems yet to be solved and challenges currently faced in this field,and propose future design and research ideas for SACs in catalytic oxidation of VOCs.

Nearly golden-ratio order in Ta metallic glass

The formation of mono-atomic tantalum(Ta)metallic glass(MG)through ultrafast liquid cooling is investigated by ab-initio molecular dynamics(MD)simulations.It is found that there exists nearly golden ratio order(NGRO)between the nearest and second nearest atoms in Ta MG,which has been indirectly confirmed by Khmich et al.and Liang et al..The NGRO is another universal structural feature in metallic glass besides the local five-fold symmetry(LFFS).Further analyzing of electronic structure shows that the obvious orientation of covalent bond could be attributed to the NGRO in amorphous Ta at 300 K.

Facile hydrothermal construction of Nb2CTx/Nb2O5 as a hybrid anode material for high-performance Li-ion batteries

Herein,a simple yet efficient hydrothermal strategy is developed to in-situ convert multi-layered niobium-based MXene(Nb2 CTx)to hierarchical Nb2 CTx/Nb2O5 composite.In the hybrid,the Nb2O5 nanorods are well dispersed in and/or on the Nb2 CTx.Thanks to the synergetic contributions from the high capacity of Nb2O5 and superb electrical conductivity of the two-dimensional Nb2 CTx itself,the resultant Nb2 CTx/Nb2O5 hybrid exhibits excellent rate behaviors and stable long-term cycling behaviors,when evaluated as anodes for Li-ion batteries.

Optimizing hydrogen ad/desorption of Mg-based hydrides for energy-storage applications

Hydrogen energy is expected to be an“ideal fuel”in the era of decarbonization.The discovery,de-velopment,and modification of high-performance hydrogen storage materials are the keys to the fu-ture development of solid-state hydrogen storage and hydrogen energy utilization.Magnesium hydride(MgH_(2)),with its high hydrogen storage capacity,abundant natural reserves,and environmental friend-liness,has been extensively researched.Herein,we briefly summarize the typical structure and hy-drogenation/dehydrogenation reaction mechanism of MgH_(2)and provide a comprehensive overview of strategies to effectively tune the thermodynamics and kinetics of Mg-based materials,such as alloy-ing,nanosizing,the introduction of additives,and composite modification.With substantial efforts,great achievements have been achieved,such as lower absorption/desorption temperatures and better cy-cling stability.Nonetheless,some pivotal issues remain to be addressed,such as unfavorable hydro-genation/dehydrogenation factors,harsh conditions,slow kinetics,incomplete dehydrogenation,low hy-drogen purity,expensive catalysts,and a lack of valid exploration of mechanisms in the hydrogena-tion/dehydrogenation process.Lastly,some future development prospects of MgH_(2)in energy-efficient conversion and storage have been presented,including advanced manufacturing ways,stabilization of nanostructures,the introduction of additives combined with structural modification,and utilization of advanced characterization techniques.