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期刊信息/Journal information
能源化学
能源化学

包信和 ALEXIS T.BELL

双月刊

2095-4956

jngc@dicp.ac.cn

0411-84379237

116023

大连市中山路457号

能源化学/Journal Journal of Energy ChemistryCSCDCSTPCD北大核心EISCI
查看更多>>本刊旨在报道世界范围内天然气化学及其相关领域的最新发展动态和科技信息，增进国际交流，促进科技发展。以天然气及其相关领域从事化学和化学工程方面研究的科研人员及工程技术人员、大专院校的本科生、研究生和教师等为读者对象。
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    Correlation between hydration properties and electrochemical performances on Ln cation size effect in layered perovskite for protonic ceramic fuel cells

    Inhyeok ChoJiwon YunBoseok SeongJunseok Kim...
    1-9页
    查看更多>>摘要：PrBa0.5Sr0.5Co1.5Fe0.5O5+δ(PrBSCF)has attracted much research interest as a potential triple ionic and electronic conductor(TIEC)electrode for protonic ceramic fuel cells(PCFCs).The chemical formula for PrBSCF is AA'B2O5+δ,with Pr(A-site)and Ba/Sr(A'-site)alternately stacked along the c-axis.Due to these structural features,the bulk oxygen ion diffusivity is significantly enhanced through the disorder-free channels in the PrO layer;thus,the A site cations(lanthanide ions)play a pivotal role in determining the overall electrochemical properties of layered perovskites.Consequently,previous research has pre-dominantly focused on the electrical properties and oxygen bulk/surface kinetics of Ln cation effects,whereas the hydration properties for PCFC systems remain unidentified.Here,we thoroughly examined the proton uptake behavior and thermodynamic parameters for the hydration reaction to conclusively determine the changes in the electrochemical performances depending on LnBa0.5Sr0.5Co1.5Fe0.5O5+δ(LnBSCF,Ln=Pr,Nd,and Gd)cathodes.At 500 ℃,the quantitative proton concentration of PrBSCF was 2.04 mol％and progressively decreased as the Ln cation size decreased.Similarly,the Gibbs free energy indicated that less energy was required for the formation of protonic defects in the order of PrBSCF＜NdBSCF＜GdBSCF.To elucidate the close relationship between hydration properties and electro-chemical performances in LnBSCF cathodes,PCFC single cell measurements and analysis of the distribu-tion of relaxation time were further investigated.
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    Recent progress on copper catalysts with different surface states for CO2 electroreduction

    Wenjun ZhangYang YangDonggang GuoLu Liu...
    10-27页
    查看更多>>摘要：The electrochemical carbon dioxide reduction reaction(eCO2RR),which converts CO2 into various hydro-carbons or alcohols,has been extensively researched because it promises a sustainable energy economy.However,only copper(Cu)can currently achieve stable and efficient hydrocarbon conversion in the eCO2RR.Therefore,understanding the catalytic mechanisms and summarizing the research progress on synthesis strategies of Cu catalysts are essential for the eCO2RR.This paper reviews Cu catalysts with differ-ent surface states of Cu catalysts:oxide-derived Cu,Cu nanoparticles,Cu single atoms,and Cu nanoclusters.It then reviews the development and progress of different Cu-catalyst preparation methods in recent years,focusing on the activity and selectivity of materials.Besides revealing the tendencies of catalytic selection and deep reactive mechanisms of Cu catalysts with four different surface states,this review can guide the subsequent construction of catalysts and provides an understanding of catalytic mechanisms.
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    Atom substitution of the solid-state electrolyte Li10GeP2S12 for stabilized all-solid-state lithium metal batteries

    Zijing WanXiaozhen ChenZiqi ZhouXiaoliang Zhong...
    28-38页
    查看更多>>摘要：Solid-state electrolyte Li10GeP2S12(LGPS)has a high lithium ion conductivity of 12 mS cm-1 at room tem-perature,but its inferior chemical stability against lithium metal anode impedes its practical application.Among all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve it.For fast screening,an enhanced model DopNetFC using chemical formulas for the dataset is adopted to predict ionic conductivity.Finally,Li10SrP2S12(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm-1).In addition,an enhanced migration of lithium ion across the LSrPS/Li interface is found.Meanwhile,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103 Å),and enhanced ability to block addi-tional electrons,all of which contribute to the stabilized interface.The applied theoretical atom substi-tution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes.
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    Patent-based technological developments and surfactants application of lithium-ion batteries fire-extinguishing agent

    Jianqi ZhangTao FanShuai YuanChongye Chang...
    39-63页
    查看更多>>摘要：While newer,more efficient Lithium-ion batteries(LIBs)and extinguishing agents have been developed to reduce the occurrence of thermal runaway accidents,there is still a scarcity of research focused on the application of surfactants in different LIBs extinguishing agents,particularly in terms of patented tech-nologies.The aim of this review paper is to provide an overview of the technological progress of LIBs and LIBs extinguishing agents in terms of patents in Korea,Japan,Europe,the United States,China,etc.The initial part of this review paper is sort out LIBs technology development in different regions.In addi-tion,to compare LIBs extinguishing agent progress and challenges of liquid,solid,combination of multi-ple,and microencapsulated.The subsequent section of this review focuses on an in-depth analysis dedicated to the efficiency and challenges faced by the surfactants corresponding design principles of LIBs extinguishing agents,such as nonionic and anionic surfactants.A total of 451,760 LIBs-related patent and 20 LIBs-fire-extinguishing agent-related patent were included in the analyses.The extinguishing effect,cooling performance,and anti-recombustion on different agents have been highlighted.After a comprehensive comparison of these agents,this review suggests that temperature-sensitive hydrogel extinguishing agent is ideal for the effective control of LIBs fire.The progress and challenges of surfac-tants have been extensively examined,focusing on key factors such as surface activity,thermal stability,foaming properties,environmental friendliness,and electrical conductivity.Moreover,it is crucial to emphasize that the selection of a suitable surfactant must align with the extinguishing strategy of the extinguishing agent for optimal firefighting effectiveness.
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    Vacancy healing for stable perovskite solar cells via bifunctional potassium tartrate

    Jing DouYue MaXiuxiu NiuWentao Zhou...
    64-70页
    查看更多>>摘要：Perovskite solar cell has gained widespread attention as a promising technology for renewable energy.However,their commercial viability has been hampered by their long-term stability and potential Pb leakage.Herein,we demonstrate a bifunctional passivator of the potassium tartrate(PT)to address both challenges.PT minimizes the Pb leakage in perovskites and also heals cationic vacancy defects,resulting in improved device performance and stability.Benefiting from PT modification,the power conversion efficiency(PCE)is improved to 23.26％and the Pb leakage in unencapsulated films is significantly reduced to 9.79 ppm.Furthermore,the corresponding device exhibits no significant decay in PCE after tracking at the maximum power point(MPP)for 2000 h under illumination(LED source,100 mW cm-2).
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    Surface engineering of ZnO electrocatalyst by N doping towards electrochemical CO2 reduction

    Rohini Subhash KanaseGetasew Mulualem ZewdieMaheswari ArunachalamJyoti Badiger...
    71-81页
    查看更多>>摘要：The discovery of efficient,selective,and stable electrocatalysts can be a key point to produce the large-scale chemical fuels via electrochemical CO2 reduction(ECR).In this study,an earth-abundant and non-toxic ZnO-based electrocatalyst was developed for use in gas-diffusion electrodes(GDE),and the effect of nitrogen(N)doping on the ECR activity of ZnO electrocatalysts was investigated.Initially,a ZnO nanosheet was prepared via the hydrothermal method,and nitridation was performed at different times to control the N-doping content.With an increase in the N-doping content,the morphological properties of the nanosheet changed significantly,namely,the 2D nanosheets transformed into irregularly shaped nanoparticles.Furthermore,the ECR performance of ZnO electrocatalysts with different N-doping content was assessed in 1.0 M KHCO3 electrolyte using a gas-diffusion electrode-based ECR cell.While the ECR activity increased after a small amount of N doping,it decreased for higher N doping content.Among them,the N∶ZnO-1 h electrocatalysts showed the best CO selectivity,with a faradaic efficiency(FECO)of 92.7％at-0.73 V vs.reversible hydrogen electrode(RHE),which was greater than that of an undoped ZnO electrocatalyst(FECO of 63.4％at-0.78 VRHE).Also,the N∶ZnO-1 h electrocatalyst exhibited outstand-ing durability for 16 h,with a partial current density of-92.1 mA cm-2.This improvement of N∶ZnO-1 h electrocatalyst can be explained by density functional theory calculations,demonstrating that this improvement of N∶ZnO-1 h electrocatalyst comes from(ⅰ)the optimized active sites lowering the free energy barrier for the rate-determining step(RDS),and(ⅱ)the modification of electronic structure enhancing the electron transfer rate by N doping.
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    Tuning the crystalline and electronic structure of ZrO2 via oxygen vacancies and nano-structuring for polysulfides conversion in lithium-sulfur batteries

    Shengnan FuChaowei HuJing LiHongtao Cui...
    82-93页
    查看更多>>摘要：The recent emergence of tetragonal phases zirconium dioxide(ZrO2)with vacancies has generated signif-icant interest as a highly efficient and stable electrocatalyst with potential applications in trapping poly-sulfides and facilitating rapid conversion in lithium-sulfur batteries(LSBs).However,the reduction of ZrO2 is challenging,even under strong reducing atmospheres at high temperatures and pressures.Consequently,the limited presence of oxygen vacancies results in insufficient active sites and reaction interfaces,thereby hindering practical implementation.Herein,we successfully introduced abundant oxygen vacancies into ZrO2 at the nanoscale with the help of carbon nanotubes(CNTs-OH)through hydrogen-etching at lower temperatures and pressures.The introduced oxygen vacancies on ZrO2-x/CNTs-OH can effectively rearrange charge distribution,enhance sulfiphilicity and increase active sites,contributing to high ionic and electronic transfer kinetics,strong binding energy and low redox barriers between polysulfides and ZrO2-x.These findings have been experimentally validated and supported by theory calculations.As a result,LSBs assembled with the ZrO2-x/CNTs-OH modified separators demon-strate excellent rate performance,superior cycling stability,and ultra-high sulfur utilization.Especially,at high sulfur loading of 6 mg cm-2,the area capacity is still up to 6.3 mA h cm-2.This work provides valuable insights into the structural and functional optimization of electrocatalysts for batteries.
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    Tuning electronic structure of RuO2 by single atom Zn and oxygen vacancies to boost oxygen evolution reaction in acidic medium

    Qing QinTiantian WangZijian LiGuolin Zhang...
    94-102页
    查看更多>>摘要：The poor stability of RuO2 electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane electrolyzers.To dramatically enhance the durability of RuO2 to construct activity-stability trade-off model is full of significance but challenging.Herein,a single atom Zn stabilized RuO2 with enriched oxygen vacancies(SA Zn-RuO2)is developed as a promising alternative to iridium oxide for acidic oxygen evolution reaction(OER).Compared with commercial RuO2,the enhanced Ru-O bond strength of SA Zn-RuO2 by forming Zn-O-Ru local structure motif is favorable to stabilize surface Ru,while the electrons transferred from Zn single atoms to adjacent Ru atoms protects the Ru active sites from overoxidation.Simultaneously,the optimized surrounding electronic structure of Ru sites in SA Zn-RuO2 decreases the adsorption energies of OER intermediates to reduce the reaction barrier.As a result,the representative SA Zn-RuO2 exhibits a low overpotential of 210 mV to achieve 10 mA cm-2 and a greatly enhanced durability than commercial RuO2.This work provides a promising dual-engineering strategy by coupling single atom doping and vacancy for the tradeoff of high activity and catalytic stabil-ity toward acidic OER.
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    Rational design of vitamin C/defective carbon van der Waals heterostructure for enhanced activity,durability and storage stability toward oxygen reduction reaction

    Ruiqi ChengKaiqi LiHuanxin LiTianshuo Zhao...
    103-111页
    查看更多>>摘要：Metal-free defective carbon materials with abundant active sites have been widely studied as low-cost and efficient oxygen reduction reaction(ORR)electrocatalysts in metal-air batteries.However,the active sites in defective carbon are easily subjected to serious oxidation or hydroxylation during ORR or storage,leading to rapid degradation of activity.Herein,we design a van der Waals heterostructure comprised of vitamin C(VC)and defective carbon(DC)to not only boost the activity but also enhance the durability and storage stability of the DC-VC electrocatalyst.The formation of VC van der Waals between DC and VC is demonstrated to be an effective strategy to protect the defect active sites from oxidation and hydroxylation degradation,thus significantly enhancing the electrochemical durability and storage anti-aging performance.Moreover,the DC-VC van der Waals can reduce the reaction energy barrier to facilitate the ORR.These findings are also confirmed by operando Fourier transform infrared spectroscopy and density functional theory calculations.It is necessary to mention that the preparation of this DC-VC electrocatalyst can be scaled up,and the ORR performance of the largely produced electrocatalyst is demonstrated to be very consistent.Furthermore,the DC-VC-based aluminum-air batteries display very competitive power density with good performance maintenance.
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    From charge storage mechanism to performance:A strategy toward boosted lithium/sodium storage through heterostructure optimization

    Xiaoke ZhangGuangfa DengMianying HuangZhaohui Xu...
    112-124页
    查看更多>>摘要：Solving the problems of low electrical conductivity and poor cycling durability in transition metal oxides-based anode materials for lithium-ion batteries(LIBs)and sodium-ion batteries(SIBs)has already turned into an urgent requirement.In this paper,we successfully synthesized Co2VO4/Co compounds with Co-V-MOF(metal-organic framework)as a sacrificial template and investigated their electrochemical mecha-nism in order to improve the electrochemical properties of LIBs and SIBs.The optimized heaping config-uration and the existence of metallic Co catalyzed the formation of radical ions,thereby facilitating higher conductivity,shortening Li+and Na+transport paths,and providing more active sites.Co2VO4/Co constructed with 2-methylimidazole as a ligand showed a discharge capacity of 1605.1 mA h g-1 after 300 cycles at 0.1 A g-1 in LIB and 677.2 mA h g-1 in SIB.Density functional theory(DFT)calculation emphasizes the crucial role of Co2VO4/Co in enhancing electrode conductivity,decreasing the migratory energy barrier,and thereby strengthening electrochemical properties.This heterostructure building tech-nique may pave the way for the development of high-performance LIBs and SIBs.Furthermore,the prob-lem of the low first-loop coulombic efficiency faced by transition metal oxides is improved.
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