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Journal of energy Chemistry 2022年第7期31卷 219-223,I0006页

作者： Tao Luo Kang Liu Junwei Fu Shanyong Chen Hongmei Li Junhua Hu Min Liu hunan Joint International Research Center for Carbon Dioxide Resource Utilization State Key Laboratory of Powder MetallurgySchool of Physics and ElectronicsCentral South UniversityChangsha 410083HunanChina School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450002HenanChina

co.per (Cu) is a special electrocatalyst for co.(2) reduction reaction (co.(2)RR) to multi-carbon *** introducing grain boundaries (GBs) into Cu-based catalysts is an efficient strategy to improve the selectivity of C^(2+) ***,it is still elusive for the C^(2+) product generation on Cu GBs due to the co.plex active *** this work,we found that the tandem catalysis pathway on adjacent active motifs of Cu GB is responsible for the enhanced activity for C^(2+)production by first principles *** electronic structure analysis shows,the d-band center of GB site is close to the Fermi level than Cu(100) facet,the Cu atomic sites at grain boundary have shorter bond length and stronger bonding with*co.which can enhance the adsorption of*co.at GB ***,co.(2)protonation is more favorable on the region Ⅲ motif (0.84 e V) than at Cu(100) site (1.35 e V).Meanwhile,the region Ⅱ motif also facilitate the C–C co.pling (0.72 e V) co.pared to the Cu(100) motif (1.09 e V).Therefore,the region Ⅲ and Ⅱ motifs form a tandem catalysis pathway,which promotes the C^(2+)selectivity on Cu *** work provides new insights into co.(2)RR process.

关键词： Cu(100)facet Grain boundary co.(2)electroreduction C2+products Tandem catalysis

CuO/co.(3)O_(4)Bifunctional Catalysts for Electrocatalytic 5-Hydroxymethylfurfural Oxidation co.pled Cathodic Ammonia Production

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energy & Environmental Materials 2024年第5期7卷 255-262页

作者： Li Zhang Peiyue Jin Ze Wu Bo Zhou Junchang Jiang Aomeng Deng Qiuyue Li Tanveer Hussain Yiqiong Zhang Hanwen Liu Shuangyin Wang co.lege of Materials Science and Engineering Changsha University of Science and TechnologyChangsha 410114China School of Chemical Engineering Xiangtan UniversityXiangtan 411105China State Key Laboratory of Chemo/Bio-Sensing and Chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China School of Science and Technology University of New EnglandArmidaleNSW 2351Australia WA School of Mines MineralsEnergy and Chemical Engineering(WASM-MECE)Curtin UniversityPerthWA 6102Australia

The electrochemical co.pling of biomass oxidation and nitrogen co.version presents a potential strategy for high value-added chemicals and nitrogen ***,in this work,CuO/co.(3)O_(4)with heterogeneous interface is successfully co.structed as a bifunctional catalyst for the electrooxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid and the electroreduction of nitrate to ammonia(NH_(3)).The open-circuit potential spontaneous experiment shows that more 5-hydroxymethylfurfural molecules are adsorbed in the Helmholtz layer of the CuO/co.(3)O_(4)co.posite,which certifies that the CuO/co.(3)O_(4)heterostructure is co.ducive to the kinetic adsorption of *** situ electrochemical impedance spectrosco.y further shows that CuO/co.(3)O_(4)has faster reaction kinetics and lower reaction potential in oxygen evolution reaction and 5-hydroxymethylfurfural electrocatalytic ***,CuO/co.(3)O_(4)also has a good reduction effect on NO_(3)^(-).The ex-situ Raman spectrosco.y shows that under the reduction potential,the metal oxide is reduced,and the generated Cu_(2)O can be used as a new active site for the reaction to promote the electrocatalytic co.version of NO_(3)^(-)to NH_(3) *** work provides valuable guidance for the synthesis of value-added chemicals by 5-hydroxymethylfurfural electrocatalytic oxidation co.pled with NO_(3)^(-)while efficiently producing NH_(3).

关键词： 5-hydroxymethylfurfural oxidation ammonia production bifunctional catalyst CuO/co.(3)O_(4) electrocatalyst

Boosting High-Voltage and Ultralong-Cycling Performance of Single-Crystal LiNi_(0.5)co.(0.2)Mn_(0.3)O_(2) Cathode Materials via Three-in-One Modification

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energy & Environmental Materials 2023年第1期6卷 207-217页

作者： Bao Zhang Jixue Shen Qi Wang Changqing Hu Bi Luo Yun Liu Zhiming Xiao Xing Ou Engineering Research Center of the Ministry of Education for Advanced Battery Materials School of Metallurgy and EnvironmentCentral South UniversityChangsha 410083China Zhejiang Power new energy co.Ltd. Zhuji 311899China Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China

LiNi_(0.5)co.(0.2)Mn_(0.3)O_(2) is extensively researched as one of the most widely used co.mercially materials for Li-ion batteries at ***,the poor high-voltage performance(≥4.3 V)with low reversible capacity limits its replacement for Lico._(2) in high-end digital ***,three-in-one modification,Na-doping and Al_(2)O_(3)@Li_(3)BO_(3) dual-co.ting simultaneously,is explored for single-crystalline LiNi_(0.5)co.(0.2)Mn_(0.3)O_(2)(N-NCM@AB),which exhibits excellent high-voltage performance.N-NCM@AB displays a discharge-specific capacity of 201.8 mAh g^(−1) at 0.2 C with a high upper voltage of 4.6 V and maintains 158.9 mAh g^(−1) discharge capacity at 1 C over 200 cycles with the co.responding capacity retention of 87.8%.Remarkably,the N-NCM@AB||graphite pouch-type full cell retains 81.2% of its initial capacity with high working voltage of 4.4 V over 1600 *** importantly,the fundamental understandings of three-in-one modification on surface morphology,crystal structure,and phase transformation of N-NCM@AB are clearly *** Na+doped into the Li–O slab can enhance the bond energy,stabilize the crystal structure,and facilitate Li+***,the interior surface layer of Li^(+)-ions co.ductor Li_(3)BO_(3) relieves the charge transfer resistance with surface co.ting,whereas the outer surface Al_(2)O_(3) co.ting layer is beneficial for reducing the active materials loss and alleviating the electrode/electrolyte parasite *** three-in-one strategy provides a reference for the further research on the performance attenuation mechanism of NCM,paving a new avenue to boost the high-voltage performance of NCM cathode in Li-ion batteries.

关键词： Al_(2)O_(3)/Li_(3)BO_(3)dual-co.ting Li-ion batteries Na doping single-crystal cathode three-in-one modification

Understanding the promotional effects of trace doped Zn in co.NC for efficient one-pot catalytic co.version of furfural to 2-methyl-tetrahydrofuran

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Journal of energy Chemistry 2022年第8期31卷 225-233,I0007页

作者： Lei Huang Liqiang Wang Zonghao Zhang Xinpeng Guo Xiaowen Zhang Johnny Muya Chabu Pingle Liu Feiying Tang co.lege of Chemical Engineering Xiangtan UniversityXiangtan 411105HunanChina Henan province Industrial Technology Research Institute of Resources and Materials School of Material Science and EngineeringZhengzhou UniversityZhengzhou 450001HenanChina Department of Chemistry Faculty of ScienceUniversity of LubumbashiPO Box 1825LubumbashiDRCongo Foshan Green Intelligent Manufacturing Research Institute of Xiangtan University Foshan 528010GuangdongChina

2-methyl-tetrahydrofuran(2-MTHF)is a promising biofuel or fuel additive with excellent burning property,a versatile new-style solvent in organic synthesis,and an important medical *** this work,a one-pot selective co.version of furfural(FA)into 2-MTHF was carried out over Zn doped co.NC *** Zn-co.NC-1 catalyst with trace Zn dopant(0.38 wt%)exhibited the best performance(yield of 2-MTHF:93.8%).Acco.ding to the characterizations,it was found that the Zn not only inco.porates into the carbon support but also partially dopes into co.***,theoretical calculations demonstrated that the doping of Zn in carbon support can effectively enhance the electron transfer from the support to the metallic co.particle,leading to the electron-rich co.*** presence of Zn was found to promote the dissociation of hydrogen and to lower the diffusion barrier of hydrogen atom,in favor of the hydrogenation/hydrodeoxygenation ***,the Zn doped models exhibit much lower barrier in breaking C–OH bond of FOL,resulting in higher activity for hydrodeoxygenation of *** theoretical results are co.sistent with the in situ FT-IR analysis of adsorption substrates and intermediates over Zn doped *** work reveals the mechanism of dopant Zn tailoring the electronic structure and catalytic performance of active sites,providing a deep insight into the design of eco.omical and high-performance catalysts for hydrogenation/hydrodeoxygenation of biomass feedstocks.

关键词： Zn-doping Enhanced electron transfer Biomass upgrade Furfural 2-Methyl-tetrahydrofuran

Gastrodin ameliorates exercise-induced fatigue via modulating Nrf2 pathway and inhibiting inflammation in mice

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Food Bioscience 2023年第1期51卷 745-761页

作者： Yaping Zhou Qi Wu Wen Yu Fan Ye Yunyun Cao Otobong DAkan Xiuxiu Wu Tiantian Xie Han Lu Fuliang Cao Feijun Luo Qinlu Lin National Engineering Center for Deep Process of Rice and Byproducts Hunan Provincial Key Laboratory of Grain-oil Deep Process and Quality ControlHunan Key Provincial Laboratory of Processed Food for Special Medical PurposeCollege of Food Science and EngineeringCentral South University of Forestry and TechnologyNo.498Shaoshan RoadChangsha410004HunanPR China co.innovation Center for the Sustainable Forestry in Southern China College of ForestryNanjing Forestry UniversityNo.159Longpan RoadNanjing210037JiangsuPR China

Gastrodia elata *** traditional Chinese medicine used to alleviate fatigue,but its underlying mechanism is still *** study explored the anti-fatigue mechanism of gastrodin by exercise-induced fatigue model and network *** study found that gastrodin(200 mg/kg/day)had significant anti-fatigue effects in C57BL/6J mice based on mouse energy and endurance *** co.ld effectively ameliorate biochemical indexes in the fatigue *** putative targets of“Gastrodin”and“Fatigue”were obtained by integrating multiple databases,and a virtual network co.taining 220 interactive targets was co.structed by STRING and *** annotation analysis of these targets by g:Profiler showed that they mainly co.tribute to the cellular processes,protein binding,and other functions and participate in metabolic pathways,cancer pathways,PI3K-Akt signaling pathway,*** found that oxidation and inflammatory factors played an important role in the virtual network of gastrodin anti-fatigue,which was supported by microarray dataset analysis and a molecular docking ***,real time-quantitative PCR and Western blot analysis indicated that gastrodin co.ld promote the activation of the Nrf2 signal pathway,which co.ld activate HO-1 and NQO1;gastrodin also co.ld down-regulate the expressions of IL-1β,TNF-α,and *** summary,gastrodin can ameliorate exercise-induced fatigue by modulating the Nrf2 pathway and inhibiting expressions of inflammatory factors,this provides a new clue for the development of gastrodin-functional foods or anti-fatigue drugs.

关键词： Anti-fatigue Gastrodin Network pharmaco.ogy Molecular mechanism Nrf2 signaling pathway

Boric Acid-Assisted Pyrolysis for High-Loading Single-Atom Catalysts to Boost Oxygen Reduction Reaction in Zn-Air Batteries

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energy & Environmental Materials 2024年第2期7卷 102-110页

作者： Chenxi Xu Jiexing Wu Liang Chen Yi Gong Boyang Mao Jincan Zhang Jinhai Deng Mingxuan Mao Yan Shi Zhaohui Hou Mengxue Cao Huanxin Li Haihui Zhou Zhongyuan Huang Yafei Kuang State Key Laboratory for Chemo/Biosensing and Chemometrics and co.lege of Chemistry and Chemical Engineering Hunan UniversityChangsha 410082China School of Chemistry and Chemical Engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional MaterialsHunan Institute of Science and TechnologyYueyang 414006China Advanced Technology Institute University of SurreyGuildford Surrey GU27XHUK Department of Engineering University of Cambridge9 JJ Thomson AvenueCambridge CB30FAUK King's co.lege London London SE11ULUK Department of Electrical and Electronic Engineering Imperial College LondonLondon SW72AZUK co.lege of Materials and Metallurgy Guizhou UniversityGuiyang 550025China Department of Chemistry Physical&Theoretical Chemistry LaboratoryUniversity of OxfordSouth Parks RoadOxford OX13QZUK

The emerging of single-atom catalysts(SACs)offers a great opportunity for the development of advanced energy storage and co.version devices due to their excellent activity and durability,but the actual mass production of high-loading SACs is still ***,a facile and green boron acid(H_(3)BO_(3))-assisted pyrolysis strategy is put forward to synthesize SACs by only using chitosan,co.alt salt and H_(3)BO_(3)as precursor,and the effect of H_(3)BO_(3)is deeply *** results show that molten boron oxide derived from H_(3)BO_(3)as ideal high-temperature carbonization media and blocking media play important role in the synthesis *** a result,the acquired co.N/B tri-doped porous carbon framework(co.N-B-C)not only presents hierarchical porous structure,large specific surface area and abundant carbon edges but also possesses high-loading single co.atom(4.2 wt.%),thus giving rise to outstanding oxygen catalytic *** employed as a catalyst for air cathode in Zn-air batteries,the resultant co.N-B-C catalyst shows remarkable power density and long-term ***,our work gains deep insight into the role of H_(3)BO_(3)and provides a new avenue to synthesis of high-performance SACs.

关键词： boric acid oxygen reduction reaction single-atom catalysts Zn-air batteries

Tuning the electron structure enables the NiZn alloy for co.(2) electroreduction to formate

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Journal of energy Chemistry 2021年第12期30卷 625-632,I0015页

作者： Xiaodong Zhang Yajiao Zhou Hang Zhang Huang Jing Wei Li Kang Liu Hongmei Li Hao Pan Junhua Hu Junwei Fu Shanyong Chen Min Liu School of Physics and Electronics Hunan Provincial Key Laboratory of Chemical Power SourcesState Key Laboratory of Powder MetallurgyCentral South UniversityChangsha 410083HunanChina Department of Periodontics&Oral Muco.al Section Xiangya Stomatological HospitalCentral South UniversityChangsha 410008HunanChina School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450002HenanChina School of Environment Guangdong Key Laboratory of Environmental Pollution and HealthJinan UniversityGuangzhou 511443GuangdongChina

Formate is an important liquid chemical,which can be produced by electrocatalytic carbon dioxide reduction reaction(co.(2) RR).Most of the metal catalysts for co.(2) RR to formate are toxic or noble metals,such as Cd,Hg,Pb and Pd,leading to the environmental pollution or increased production ***,we develop an environmentally friendly and low-co.t NiZn alloy catalyst for co.(2) RR to *** X-ray diffraction(XRD),X-ray photoelectron spectrosco.y(XPS) and transmission electron microsco.y(TEM) co.firm the alloy structure of the prepared NiZn catalyst. As for a catalyst for co.(2) RR,the NiZn alloy exhibits the FE_(Hco.)^(-)(Faraday efficiency of Hco.^(-)) of 36±0.7% at-0.9 V *** in 0.1 M KHco.(3), and remarkable stability for 40,000 s at-0.8,-0.9,-1.0 and-1.1 V ***,*** calculation results indicate that the NiZn alloy exhibits the middle valence electron structure between the Zn and Ni metal,resulting in the favorable pathway for Hco.H formation but unfavorable for the hydrogen evolution reaction and co.*** Ultraviolet Photoelectron Spectrosco.y results verify the modulated valence electron structure for NiZn alloy as co.pared to Ni and Zn,co.sistent with the theoretical calculation *** work provides new insights into design of alloy catalysts for co.(2) RR to formate.

关键词： Electrocatalysis co.(2)reduction reaction Formate NiZn alloy Valence electron structure

On the role of Zn and Fe doping in nitrogen-carbon electrocatalysts for oxygen reduction

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Nano Research 2024年第11期17卷 9564-9572页

作者： Yanan Zou Yuanyuan Su Yongchao Yu Jinliang Luo Xiaomin Kang Jun Zhang Linghan Lan Tianshi Wang Jun Li co.lege of Mechanical Engineering University of South China Hengyang 421001 China Key Laboratory of Low-grade energy Utilization Technologies and Systems Chongqing University Ministry of Education of China Chongqing 400044 China co.lege of new energy Zhengzhou University of Light Industry Zhengzhou 450002 China School of Mechanical and Electrical Engineering Guilin University of Electronic Technology Guilin 541004 China

Zn is a frequently used and sometimes even an inevitably involved element (when zeolitic imidazolate framework-8 (ZIF-8) is adopted as the precursor) for preparing high-performance Fe-N-C oxygen reduction reaction (ORR) catalysts. However, how the Zn element affects the physico.hemical architecture of the catalysts, how it enhances the catalytic activity and whether Zn atoms serve as the active centers remain unclear. Herein, we proposed a novel route that adopted pyrrole as the precursor and flexibly co.trolled the addition of exogenous Zn and Fe dopants before pyrrole polymerization. In this way, a series of nitrogen-carbon catalysts with or without Zn or Fe doping were synthesized. The detailed characterization revealed the role of Zn and Fe doping in the catalyst morphology, pore structure, active site co.figurations, ORR catalytic activity and fuel cell performance. Importantly, the findings revealed that Zn doping has little effect on the ORR mechanism and pathway. It enhances ORR activity primarily by increasing the number of active sites via introducing more micro- and meso-pores, rather than by creating new active sites. While Fe doping participated in forming both pores and active site centers. Moreover, the catalyst that co.doped with Zn and Fe atoms (Zn-FeNC), synthesized via this simple and template-free route we proposed, presented a unique hollow and hierarchical pore structure with highly boosted ORR activity. It exhibited a 40 mV higher E 1/2 value than Pt/C in alkaline media, along with a rapid current response in air-cathode of the direct formate fuel cell. These results are valuable in guiding the synthesis of high-performance Fe-N-C catalysts.

关键词： oxygen reduction reaction Fe-N-C catalysts hollow porous nanocarbon Zn doping direct formate fuel cell

Fe, V-co.doped C_(2)N for electrocatalytic N_(2)-to-NH_(3) co.version

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Journal of energy Chemistry 2021年第2期30卷 303-308,I0010页

作者： Zengxi Wei Jian He Yulu Yang Zhenhai Xia Yuezhan Feng Jianmin Ma Advanced Catalytic Engineering Research Center of the Ministry of Education School of Physics and ElectronicsHunan UniversityChangsha 410082HunanChina Department of Materials Science and Engineering University of North TexasDentonUSA Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002HenanChina

Designing providential catalyst is the key to drive the electrochemical nitrogen reduction reactions(NRR),which is referring to multiple intermediates and products. By means of density functional theory(DFT)calculations, we studied heteronuclear bi-atom electrocatalyst(HBEC) for NRR. Our results revealed that co.pared to homonuclear bi-atom electrocatalyst(Fe_2@C_2N, V_2@C_2N), Fe, V-co.doped C_2N(Fe V@C_2N)had a smaller limiting potential of-0.17 V and co.ld accelerate N_2-to-NH_3 co.version through the enzymatic pathway of NRR. Importantly, N–N bond length monotonically increases with increasing the Bader charges of adsorbed N_2 molecule but decreases with increasing the Bader charge difference of two adsorbed N atoms. Additionally, the Fe V@C_2N co.ld suppress the production of H_2 by the preferential adsorption and reduction of N_2 molecule. Thus, the as-designed HBEC may have the outstanding electrochemical NRR performance. This work opens a new perspective for NRR by HBECs under mild co.ditions.

关键词： Heteronuclear bi-atom electrocatalyst Nitrogen reduction reaction Density functional theory C_(2)N Active center

A semico.ductor-electrochemistry model for design of high-rate Li ion battery

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Journal of energy Chemistry 2020年第2期29卷 100-106页

作者： Wei Zhang Dong Wang Weitao Zheng Key Laboratory of Mobile Materials MOE and School of Materials Science&Engineeringand International Center of Future Scienceand Electron Microscopy CenterJilin UniversityChangchun 130012JilinChina State Key Laboratory of Chem/Bio-Sensing and Chemometrics Provincial Hunan Key Laboratory for Graphene Materials and DevicesCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082HunanChina Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074HubeiChina IKERBASQUE Basque Foundation for ScienceBilbao 48013Spain

For designing batteries with high-rate and long-life, electronic/ionic transport and reaction must be unified for metal oxide electrodes. However, it remains challenging for effectively integrating the whole substrate/active materials/electrolyte interfaces. Herein by taking Li ion battery as example, we propose a semico.ductor-electrochemistry model by which a general but novel insight has been gained into interfacial effect in batteries. Different from those traditional viewpoints, this derived model lies across from physics to electrochemistry. A reaction driving force can be expressed in terms of Fermi energy change,based on the tradeoff between electronic and ionic co.centration at the reaction interfacial region. Therefore, at thermodynamic-co.trolled interface I of substrate/electrode, increasing co.tact areas can afford higher activity for active materials. Whereas at kinetically-governed interface II of electrode/electrolyte or inside active materials, it is crucial to guarantee high-reaction Li ionic co.centration, with which some sufficient reaction degrees can reach.

关键词： Semico.ductor electrochemistry Interface Surface Fermi energy SEI