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Coordination environments build up and tune a superior synergistic “genome” toward novel trifunctional (TM-n_(x)O_(4−x))@g- C_(16)n_(3)-H_(3): High-throughput inspection of ultra-high activity for water splitting and oxygen reduction reactions

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nano Research 2024年第4期17卷 2337-2351页

作者： Chunyao Fang Xian Wang Qiang Zhang Xihang Zhang Chenglong Shi Jingcheng Xu Mengyu yang Department of Physics University of Shanghai for Science and TechnologyShanghai 200093China School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China

Emerging as a prominent area of focus in energy conversion and storage technologies,the development of highly active metal-based single-atom catalysts(SACs)holds great signiﬁcance in searching alternatives to replace precious metals toward the efficient,stable,and low-cost hydrogen evolution reaction(HER),as well as the oxygen evolution reaction(OER)and the oxygen reduction reaction(ORR).Combining the tremendous tunability of ligand and coordination environment with rich metal-based electrocatalysts can create breakthrough opportunities for achieving both high stability and ***,we propose a novel and stable holey graphene-like carbon nitride monolayer g-C_(16)n5(n_(4)@g-C_(16)n_(3))stoichiometries interestingly behaving as a natural substrate for constructing SACs((TM-n_(4))@g-C_(16)n_(3)),whose evenly distributed holes map rich and uniform nitrogen coordination positions with electron-rich lone pairs for anchoring transition metal(TM)***,we employed density functional theory(DFT)calculations to systematically investigate the electrocatalytic activity of(TM-n_(4))@g-C_(16)n_(3) toward HER/OER/ORR,meanwhile considering the synergistic modulation of H-loading and O-coordination((TM-n_(x)O_(4-x))@g-C_(16)n_(3)^(-)H_(3),x=0–4).Together a“four-step procedure”screening mechanism with the first-principles high-throughput calculations,we find that(Rh-n_(4))and(Ir-n_(2)O_(2)-II)distributed on g-C_(16)n_(3)^(-)H_(3) can modulate the adsorption strength of the adsorbates,thus achieving the best HER/OER/ORR performance among 216 candidates,and the lowest overpotential of 0.098/0.3/0.46 V and 0.06/0.48/0.45 V,***,the d-band center,crystal orbital Hamilton population(COHP),and molecular orbitals are used to reveal the OER/ORR activity ***,the Rh/Ir-d orbital is dramatically hybridized with the O-p orbital of the oxygenated adsorbates,so that the lone-electrons incipiently locate at the antibonding orbital pair up and popula

关键词： single atom catalysts loading and coordination hydrogen evolution reaction oxygen evolution reaction oxygen reduction reaction

Measurement and Correlation of Liquid-liquid Equilibria for 1-Hexene-n-Hexane-3-Methysulfolane

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China Petroleum Processing & Petrochemical Technology 2024年第2期26卷 81-87页

作者： Ma Rui Tian Longsheng Zhao Ming yang Mingke Qie Siyuan SInOPEC Research Institute of Petroleum Processing Co. Ltd.Beijing 100083China

Utilizing solvent extraction to separate alkanes and olefins from catalytic light gasoline is an effective method for maximizing the utility of gasoline *** study presents the determination of liquid-liquid equilibrium data for the ternary system of 1-hexene-n-hexane-3-methylsulfolane at 30℃,40℃,and 50℃under atmospheric *** obtained data facilitated the construction of a ternary phase diagram for the *** results showed that the extraction selectivity of 1-hexene/n-hexane exceeded 1.5 when using 3-methylsulfolane as the extraction ***,the thermodynamic consistency of the experimental data was examined using Hand’s equation and the Othmer-Tobias *** correlation coefficient,R^(2)≥0.9578,indicated the acceptable reliability of the phase equilibrium ***,the nRTL(non-random two liquid)model was used to correlate the liquid-liquid phase equilibrium data and derive the binary interaction ***,the results demonstrated that the root mean square deviation of the nRTL model correlation values from the experimental values did not exceed 2.5%.

关键词： liquid-liquid phase equilibrium 1-hexene n-hexane 3-methylsulfolane nRTL

Structural and Luminescent Properties of Mg_(0.25-x)Al_(2.57)O_(3.79)n_(0.21):xMn^(2+)Green-Emitting Transparent Ceramic Phosphor

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 533-540页

作者：郝留成 MIAO Xiaojun LI Kai ZHOnG Jianying 涂兵田 yang Zhangfu 王皓 Pinggao Group Co. LtdPingdingshan 467001China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Longzhong Laboratory Xiangyang 430070China School of Materials Science and Engineering Anhui University of Science and TechnologyHuainan 232001China

A series of spinel-type Mg_(0.25-x)Al_(2.57)O_(3.79)n_(0.21):xMn^(2+)(MgAlOn:xMn^(2+))phosphors were synthesized by the solid-state reaction *** transparent ceramic phosphors were fabricated by pressureless sintering followed by hot-isostatic pressing(HIP).The crystal structure,luminescence and mechanical properties of the samples were systematically *** transparent ceramic phosphors with tetrahedrally coordinated Mn^(2+)show strong green emission centered around 515 nm under blue light *** the Mn^(2+)concentration increases,the crystal lattice expands slightly,resulting in a variation of crystal field and a slight red-shift of green emission *** weak absorption peaks in the transmittance spectra originate from the spin-forbidden ^(4)T_(1)(^(4)G)→^(6)A_(1) transition of Mn^(2+).The decay time was found to decrease from 5.66 to 5.16 ms with the Mn^(2+)*** present study contributes to the systematic understanding of crystal structure and properties of MgAlOn:xMn^(2+)green-emitting transparent ceramic phosphor which has a potential application in high-power light-emitting diodes.

关键词： transparent ceramic phosphor green emission MgAlOn photoluminescence

Development in oxide metallurgy for improving the weldability of high -strength low-alloy steel-Combined deoxidizers and microalloying elements

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International Journal of Minerals,Metallurgy and Materials 2024年第6期31卷 1263-1284页

作者： Tingting Li Jian yang State Key Laboratory of Advanced Special Steel School of Materials Science and EngineeringShanghai UniversityShanghai 200444China

The mechanisms of oxide metallurgy include inducing the formation of intragranular acicular ferrite(IAF)using micron-sized inclusions and restricting the growth of prior austenite grains(PAGs)by nanosized particles during *** chaotically oriented IAF and refined PAGs inhibit crack initiation and propagation in the steel,resulting in high impact *** work summarizes the com-bined effect of deoxidizers and alloying elements,with the aim to provide a new perspective for the research and practice related to im-proving the impact toughness of the heat affected zone(HAZ)during the high heat input *** complex deoxidation with other strong deoxidants,such as Mg,Ca,Zr,and rare earth metals(REMs),can improve the toughness of the heat-affected zone(HAZ)by re-fining PAGs or increasing IAF ***,it is difficult to identify the specific phase responsible for IAF nucleation because ef-fective inclusions formed by complex deoxidation are usually *** alloying elements,such as C,Si,Al,nb,or Cr,con-tents can impair HAZ toughness.A high C content typically increases the number of coarse carbides and decreases the potency of IAF ***,Cr,or Al addition leads to the formation of undesirable *** reduces the high-temperature stability of the ***,V,and B can enhance HAZ ***-containing precipitates present good thermal *** or V(C,n)is ef-fective in promoting IAF nucleation due to its good coherent crystallographic relationship with *** formation of the B-depleted zone around the inclusion promotes IAF *** interactions between alloying elements are complex,and the effect of adding dif-ferent alloying elements remains to be *** the future,the interactions between various alloying elements and their effects on ox-ide metallurgy,as well as the calculation of the nucleation effects of effective inclusions using first principles calculations will become the focus of

关键词： oxide metallurgy technology heat affected zone high-strength low-alloy steel intragranular acicular ferrite microalloying element

Dynamic RnA methylation modifications and their regulatory role in mammalian development and diseases

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Science China(Life Sciences) 2024年第10期67卷 2084-2104页

作者： Wenlan yang Yongliang Zhao Yungui yang State Key Laboratory of Reproductive Regulation&Breeding of Grassland Livestock Inner Mongolia Key Laboratory for Molecular Regulation of the CellSchool of Life SciencesInner Mongolia UniversityHohhot 010020China CAS Key Laboratory of Genomic and Precision Medicine Beijing Institute of GenomicsChinese Academy of SciencesBeijing 100101China China national Center for Bioinformation Beijing 100101China School of Future Technology University of Chinese Academy of SciencesBeijing 100049China Sino-Danish College University of Chinese Academy of SciencesBeijing 101408China

Among over 170 different types of chemical modifications on RnA nucleobases identified so far,RnA methylation is the major type of epitranscriptomic modifications existing on almost all types of RnAs,and has been demonstrated to participate in the entire process of RnA metabolism,including transcription,pre-mRnA alternative splicing and maturation,mRnA nucleus export,mRnA degradation and stabilization,mRnA *** to the development of high-throughput detection technologies and the identification of both dynamic regulators and recognition proteins,mechanisms of RnA methylation modification in regulating the normal development of the organism as well as various disease occurrence and developmental abnormalities upon RnA methylation dysregulation have become increasingly ***,we particularly focus on three types of RnA methylations:n^(6)-methylcytosine(m^(6)A),5-methylcytosine(m^(5)C),and n^(7)-methyladenosine(m^(7)G).We summarize the elements related to their dynamic installment and removal,specific binding proteins,and the development of high-throughput detection ***,for a comprehensive understanding of their biological significance,we also overview the latest knowledge on the underlying mechanisms and key roles of these three mRnA methylation modifications in gametogenesis,embryonic development,immune system development,as well as disease and tumor progression.

关键词： RnA methylation(m^(6)A m5C and m7G) detection techniques RnA metabolism gametogenesis embryogenesis immune system development tumorigenesis

MoP nanoparticles encapsulated in n-doped carbon nanotubes as sulfur host for advanced lithium-sulfur batteries

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nano Research 2024年第4期17卷 2736-2745页

作者： Guozhi Wu Shanqing Li Zheng Chen Ajiao Sun Jie yang Sang Woo Joo Jiarui Huang Key Laboratory of Functional Molecular Solids of the Ministry of Education Anhui Laboratory of Molecule-Based MaterialsCollege of Chemistry and Materials ScienceAnhui Normal UniversityWuhu 241002China Anhui Engineering Research Center of Highly Reactive Micro-nano Powders School of Materials and Environmental engineeringChizhou UniversityChizhou 247000China School of Mechanical Engineering Yeungnam UniversityGyeongsanGyeongbuk 38541Republic of Korea

The low electrical conductivity of sulfur,strong volume expansion,shuttle effect,and sluggish redox reactions in Li-S batteries limit their practical *** nanoparticles encapsulated in nitrogen-doped carbon nanotubes(MoP/nC nTs)were synthesized using MoO_(3) nanorods as templates via a polypyrrole coating,heat-carbonization,MoO_(3) partial reduction,ammonia washing,and *** MoP/nC nTs had a hollow nanostructure with a high specific surface area,which can alleviate the volume expansion of the cathode and the shuttle effect of *** encapsulated MoP nanoparticles can anchor the polysulfides and enhance the redox reaction ***,the MoP/nC nTs combined with sulfur(MoP/S/nC nTs)exhibited 440.8 mAh·g^(-1) over 500 cycles at 1.0 A·g^(-1) with a decay rate of 0.06%per *** density functional theory calculations and X-ray photoelectron spectroscopy results confirmed that MoP/nC nTs could anchor polysulfides and alleviate the shuttle effect by chemical *** study supplies a novel route to prepare nanoparticle-embedded in n-doped carbon nanotubes for advanced Li-S battery.

关键词： MoP n-doped carbon nanotube lithium-sulfur battery cathode

Photocatalytic in situ H_(2)O_(2) production and activation for enhanced ciprofloxacin degradation over CeO_(2)-Co_(3)O_(4)/g-C_(3)n_(4):key role of CeO_(2)

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Rare Metals 2024年第6期43卷 2695-2707页

作者： Hong-Jie Zhu Yi-Kai yang Ming-Hui Li Lu-ning Zou Hai-Tao Zhao Shandong Provincial Key Laboratory of Chemical Energy Storage and novel Cell Technology School of Chemistry and Chemical Engin College of Ecology and Environment Anhui Normal UniversityWuhu241002China Liaocheng YiLu Advanced Materials Co. LtdLiaocheng 252000China

The abused ciprofloxacin antibiotics have caused significant environmental *** oxidative degradation of ciprofloxacin exhibits promising efficacy,it often entails excessive energy ***,it is necessary to explore an effective and ecologically sustainable degradation ***,we demonstrated that g-C_(3)n_(4) decorated with the coordinated CeO_(2)and Co_(3)O_(4)(CeO_(2)-Co_(3)O_(4)/Cn)exhibited effective ciprofloxacin photodegradation via in situ H_(2)O_(2) production and activation *** indicate that the introduced CeO_(2) enhances the transference of photogenerated electrons to O_(2) by adjusting the oxygen vacancy of photocatalyst,thereby increasing the generation of superoxide radicals,which in turn generate H_(2)O_(2),resulting in a 22.4-fold increase in H_(2)O_(2) generation over g-C_(3)n_(4).Moreover,the in situ H_(2)O_(2)generation facilitated by CeO_(2) is confirmed to be essential for ciprofloxacin degradation via CeO_(2)-Co_(3)O_(4)/Cn,as it provides enough oxidant for Co_(3)O_(4) to activate into hydroxyl radicals for the pollutants ***,CeO_(2)-Co_(3)O_(4)/Cn achieves a ciprofloxacin degradation ratio of 97.7%within 80 *** study introduces a novel approach that combines H_(2)O_(2) generation and activation,offering an innovative perspective for achieving clean and efficient purification of antibiotic-contaminated water.

关键词： CeO_(2) In situ H_(2)O_(2)generation Ciprofloxacin degradation Photocatalyst

Modulating redox transition kinetics by anion regulation in ni-Fe-X(X=O,S,Se,n,and P)electrocatalyst for efficient water oxidation

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nano Research 2024年第6期17卷 4720-4728页

作者： Liting Wei Kaini Zhang Rui Zhao Lei Zhang Yan Zhang Suyi yang Jinzhan Su International Research Center for Renewable Energy&State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Department of Applied Chemistry Yuncheng UniversityYuncheng 044000China

niFe-based electrocatalysts will experience dynamical surface reconstruction during oxygen evolution reaction(OER)process,and the derived metal(oxy)hydroxide hybrids on the surface have been considered as the actual active species for *** efforts have been dedicated to understanding the surface reconstruction,but there is rare research on recognizing the origin of improved performance derived from anion species of ***,the OER electrocatalytic characteristics were tuned with different anions in niFe-based catalyst,using niFe-based oxides/nitride/sulfide/selenides/phosphides(niFeX,X=O,n,S,Se,and P)as the model *** combination of X-ray photoelectronic spectroscopy,electrochemical tests,operando spectroscopic characterizations,and density functional theory(DFT)calculations,reveals that anion with lower electronegativity in niFe-based catalyst leads to higher conductivity and delayed valence transition of ni sites,as well as optimized adsorption behavior towards oxygen intermediates,contributing to enhanced OER ***,niFeP electrocatalyst demonstrates an ultralow overpotential of 265 mV at 20 mA·cm−2 for OER,as well as long-term *** work not only offers further insights into the effect of anionic electronegativity on the intrinsic OER electrocatalytic properties of niFe-based electrocatalyst but also provides guide to design efficient non-noble metal-based electrocatalysts for water oxidation.

关键词： oxygen evolution reaction(OER) anion species electronegativity valence transition

Highly efficient and active Co-n-C catalysts for oxygen reduction and Zn-air batteries

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Frontiers in Energy 2024年第4期18卷 436-446页

作者： Cong LEI Rongzhong yang Jianan ZHAO Wenbin TAnG Fadong MIAO Qinghong HUAnG Yuping WU School of Energy Science and Engineering Nanjing Tech UniversityNanjing 211816China

In this study,the Lewis doping approach of polyaniline(PAnI)was employed to fabricate cobait-nitrogen-carbon(Co-n-C)oxygen electrocatalysts for Zn-air batteries,aiming to enhance the active spots of *** resulting Co-n-C catalysts exhibited welldefined nanofiber networks,and the Brunauer-EmmettTeller(BET)analysis confirmed their substantial specific surface *** experiments demonstrated that the Co-n-C catalysts achieved the half-wave potential(***)of 0.85 V in alkaline medium,overcoming Pt/C and iron-nitrogen-carbon(Fe-n-C)counterparts in extended cycle testing with only a 25 mV change in a half-wave potential after 5000 ***,the highest power density measured in the zinc(Zn)-air battery reached 227 mW/cm^(2),a significant improvement over the performance of 101 mW/cm^(2) of the platinum on activated carbon(Pt/C)*** findings highlight the advantageous stability enhancement associated with the utilization of Co in the Co-n-C catalysts.

关键词： oxygen reduction reaction(ORR) oxygen evolution reaction(OER) non-noble metal catalysts Co-n-C catalysts Zn-air battery