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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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    Biomass valorization via electrocatalytic carbon-carbon bond cleavage

    Keping WangZhenyan GuoMin ZhouYing Yang...
    542-578页
    查看更多>>摘要：Renewable electrocatalytic upgrading of biomass feedstocks into valuable chemicals is one of the promis-ing strategies to relieve the pressure of traditional energy-based systems.Through electrocatalytic car-bon-carbon bond cleavage of high selectivity,various functionalized molecules,such as organic acids,amides,esters,and nitriles,have great potential to be accessed from biomass.However,it has merely received finite concerns and interests in the biorefinery.This review first showcases the research progress on the electrocatalytic conversion of lipid/sugar-and lignin-derived molecules(e.g.,glycerol,meso-erythritol,xylose,glucose,1-phenylethanol,and cyclohexanol)into organic acids via specific carbon-car-bon bond scission processes,with focus on disclosing reaction mechanisms,recognizing actual active species,and collecting feasible modification strategies.For the guidance of further extensive studies on biomass valorization,organic transformations via a variety of reactions,including decarboxylation,ring-opening,rearrangement,reductive hydrogenation,and carboxylation,are also disclosed for the con-struction of similar carbon skeletons/scaffolds.The remaining challenges,prospective applications,and future objectives in terms of biomass conversion are also proposed.This review is expected to provide references to develop renewed electrocatalytic carbon-carbon bond cleavage transformation paths/strategies for biomass upgrading.
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    Review on current development of polybenzimidazole membrane for lithium battery

    Yonggui DengArshad HussainWaseem RazaXingke Cai...
    579-608页
    查看更多>>摘要：With the rapid development of portable technology,lithium batteries have emerged as potential candi-dates for high-performance energy storage systems owing to their high energy density and cycling sta-bility.Among the key components of a lithium battery system,the separator plays a critical role as it directly influences the battery performance benchmark(cycling performance and safety).However,tra-ditional polyolefin separators(polypropylene/polyethylene)are unable to meet the demands of high-performance and safer battery systems due to their poor electrolyte compatibility,thermal runaways,and ultimate growth of dendrites.In contrast,membranes fabricated using polybenzimidazole(PBI)exhi-bit excellent electrolyte wettability and outstanding thermal dimensional stability,thus holding great potential as separators for high-performance and high-safety batteries.In this paper,we present a com-prehensive review of the general requirements for separators,synthesis technology for separators,and research trends focusing PBI membranes in lithium batteries to alleviate the current commercial chal-lenges faced by conventional polyolefin separators.In addition,we discuss the future development direc-tion for PBI battery separators by considering various factors such as production cost,ecological footprint,preparation technology,and battery component compatibility.By exploring these perspectives,we aim to promote the continued application and exploration of PBI-based materials to advance lithium battery technology.
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    Understanding the combustion behavior of electric bicycle batteries and unveiling its relationship with fire extinguishing

    Zhanglong YuXueling ShenRan XuZheng Wang...
    609-618页
    查看更多>>摘要：In this study,a detailed analysis of the combustion behaviors of the lithium iron phosphate(LFP)and lithium manganese oxide(LMO)batteries used in electric bicycles was conducted.This research included quantitative measurements of the combustion duration,flame height,combustion temperature,heat release rate,and total heat release.The results indicated that LMO batteries exhibited higher combustion temperatures of 600-700 ℃,flame heights of 70-75 cm,a significantly higher heat release rate of 40.1 kW(12 Ah),and a total heat release of 1.04 MJ(12 Ah)compared to LFP batteries with the same capacity.Based on these experimental results,a normalized total heat release(NORTHR)parameter was proposed,demonstrating good universality for batteries with different capacities.Utilizing this parame-ter,quantitative calculations and optimization of the extinguishing agent dosage were conducted for fires involving these two types of batteries,and the method was validated by extinguishing fires for these two types of battery packs with water-based extinguishing fluids.
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    Thermodynamic equilibrium theory-guided design and synthesis of Mg-doped LiFe0.4Mn0.6PO4/C cathode for lithium-ion batteries

    Wei LyuWenlong CaiTuan WangXiaobo Sun...
    619-627页
    查看更多>>摘要：Mn-rich LiFe1-xMnxPO4(x＞0.5),which combines the high operation voltage of LiMnPO4 with excellent rate performance of LiFePO4,is hindered by its sluggish kinetic properties.Herein,thermodynamic equi-librium analysis of Mn2+-Fe2+-Mg2+-C2O4--H2O system is used to guide the design and preparation of in-situ Mg-doped(Fe0.4Mn0.6)1-xMgxC2O4 intermediate,which is then employed as an innovative precursor to synthesize high-performance Mg-doped LiFe0.4Mn0.6PO4.It indicates that the metal ions with a high precipitation efficiency and the stoichiometric precursors with uniform element distribution can be achieved under the optimized thermodynamic conditions.Meanwhile,accelerated Li+diffusivity and reduced charge transfer resistance originating from Mg doping are verified by various kinetic character-izations.Benefiting from the contributions of inherited homogeneous element distribution,small particle size,uniform carbon layer coating,enhanced Li+migration ability and structural stability induced by Mg doping,the Li(Fe0.4Mn0.6)0.97Mg0.03PO4/C exhibits splendid electrochemical performance.
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    Revealing the specific role of sulfide and nano-alumina in composite solid-state electrolytes for performance-reinforced ether-nitrile copolymers

    Haoyang YuanChanghao TianMengyuan SongWenjun Lin...
    628-636页
    查看更多>>摘要：Composite solid-state electrolytes represent a critical pathway that balances the interface compatibility and lithium-ion conductivity in all-solid-state batteries.The quest for stable and highly ion-conductive combinations between polymers and fillers is vital,but blind attempts are often made due to a lack of understanding of the mechanisms involved in the interaction between polymers and fillers.Herein,we employ in-situ polymerization to prepare a polymer based on an ether-nitrile copolymer with high cath-ode stability as the.foundation and discuss the performance enhancement mechanisms of argyrodite and nano-alumina.With 1％content of sulfide interacting with the polymer at the two-phase interface,the local enhancement of lithium-ion migration capability can be achieved,avoiding the reduction in capac-ity due to the low ion conductivity of the passivation layer during cycling.The capacity retention after 50 cycles at 0.5 C increases from 83.5％to 94.4％.Nano-alumina,through anchoring the anions and interface inhibition functions,eventually poses an initial discharge capacity of 136.8 mA h g-1 at 0.5 C and extends the cycling time to 1000 h without short-circuiting in lithium metal batteries.Through the combined action of dual fillers on the composite solid-state electrolyte,promising insights are provided for future material design.
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    Palladium single atoms from melting nanoparticles on WO3-x for boosted hydrogen evolution reaction

    Zhongmiao GongZhigang ChenHao LiGuang Yang...
    637-644页
    查看更多>>摘要：Surface-supported isolated atoms in single-atom catalysts(SACs)grant maximum utilization of metals in heterogeneous catalysis.Herein,we report a feasible pyrolysis strategy to synthesize Pd single atoms by thermally melting Pd nanoparticles on an oxygen-vacancy-rich tungsten-oxide matrix at reduction atmo-sphere.Near ambient pressure X-ray photoelectron spectroscopy was used to monitor the formation of zero-valence Pd single atoms and the increased metallic feature of WO3-x substrate.Accordingly,the as-obtained zero-valence Pd single-atom catalyst exhibits a markedly boosted HER activity with a low overpotential(η10=70 mV)at the current density of 10 mA/cm2 and a small Tafel slope(b=68 mV/dec),nearly 150 mV and a 3.0-fold enhancement than those of Pd nanoparticles(η10=220 mV,b=133 mV/dec)under the same conditions.In addition,quasi in situ XPS results suggest the hydrogen spillover effect is more likely to occur on Pd single atoms during the electrochemical process.Our work may pave an interesting route for the rational design of highly-efficient single-atom catalysts,and the elucidation of corresponding enhanced reaction mechanisms by the utilization of advanced characteriza-tion techniques.
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    Data driven computational design of stable oxygen evolution catalysts by DFT and machine learning:Promising electrocatalysts

    Hwanyeol ParkYunseok KimSeulwon ChoiHo Jun Kim...
    645-655页
    查看更多>>摘要：The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Investigating active,stable,and cost-efficient catalysts is crucial for oxygen evolution reaction owing to the significance in a range of electrochemical energy conversion processes.In this work,we have demonstrated an efficient approach of high-throughput screening to find stable transition metal oxides under acid condition for high-performance oxygen evolution reaction(OER)catalysts through density functional theory(DFT)calculation and a machine learning algorithm.A methodology utilizing both the Materials Project database and DFT calculations was introduced to assess the acid stability under specific reaction conditions.Building upon this,OER catalytic activity of acid-stable materials was exam-ined,highlighting potential OER catalysts that meet the required properties.We identified IrO2,Fe(SbO3)2,Co(SbO3)2,Ni(SbO3)2,FeSbO4,Fe(SbO3)4,MoWO6,TiSnO4,CoSbO4,and Ti(WO4)2 as promising catalysts,several of which have already been experimentally discovered for their robust OER perfor-mance,while others are novel for experimental exploration,thereby broadening the chemical scope for efficient OER electrocatalysts.Descriptors of the bond length of TM-O and the first ionization energy were used to unveil the OER activity origin.From the calculated results,guidance has been derived to effectively execute advanced high-throughput screenings for the discovery of catalysts with favorable properties.Furthermore,the intrinsic correlation between catalytic performance and various atomic and structural factors was elucidated using the ML algorithm.Through these approaches,we not only streamline the choice of the promising electrocatalysts but also offer insights for the design of varied cat-alyst models and the discovery of superior catalysts.
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    Spent graphite regeneration:Exploring diverse repairing manners with impurities-catalyzing effect towards high performance and low energy consumption

    Yu DongZihao ZengZhengqiao YuanBing Wang...
    656-669页
    查看更多>>摘要：Spent battery recycling has received considerable attention because of its economic and environmental potential.A large amount of retired graphite has been produced as the main electrode material,accom-panied by a detailed exploration of the repair mechanism.However,they still suffer from unclear repair mechanisms and physicochemical evolution.In this study,spent graphite was repaired employing three methodologies:pickling-sintering,pyrogenic-recovery,and high-temperature sintering.Owing to the catalytic effect of the metal-based impurities and temperature control,the as-obtained samples displayed an ordered transformation,including the interlayer distance,crystalline degree,and grain size.As anodes of lithium ions batteries,the capacity of repaired samples reached up to 310 mA h g-1 above after 300 loops at 1.0 C,similar to that of commercial graphite.Meanwhile,benefitting from the effective assembly of carbon atoms in internal structure of graphite at＞1400 ℃,their initial coulombic efficiency were＞87％.Even at 2.0 C,the capacity of samples remained approximately 244 mA h g-1 after 500 cycles.Detailed electrochemical and kinetic analyses revealed that a low temperature enhanced the isotropy,thereby enhancing the rate properties.Further,economic and environmental analyses revealed that the revenue obtained through suitable pyrogenic-recovering manners was approximately the largest value(5500 $ t-1).Thus,this study is expected to clarify the in-depth effect of different repair methods on the traits of graphite,while offering all-round evaluations of repaired graphite.
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    Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

    Yunting WangGaohui DuDi HanWenhao Shi...
    670-679页
    查看更多>>摘要：Layer-type LiNio.9Mno.1O2 is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O2--Mg2+-O2-pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calcula-tions,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O2--O2-can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxy-gen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.
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    CO2 conversion to solar fuels and chemicals:Opening the new paths

    Gabriele CentiClaudio Ampelli
    680-683页
    查看更多>>摘要：This future article discusses the new prospects and directions of CO2 conversion via the photo-electro-catalytic(PEC)route.The second(2nd)generation solar fuels and chemicals(SFs)are generated directly in PEC systems via electrons/protons reactions without forming molecular H2 as an intermediate,over-coming the thermodynamics limitations and practical issues encountered for electro-fuels produced by multistep thermocatalytic processes(i.e.CO2 conversion with H2 coming from water electrolysis).A dis-tributed and decentralized production of SFs requires very compact,highly integrated,and intensified technologies.Among the existing reactors of advanced design(based on artificial leaves or photosynthe-sis),the integrated photovoltaic plus electrocatalytic(PV-EC)device is the only system(demonstrated at large scale)to produce SFs with high solar-to-fuel(STF)efficiency.However,while the literature indicates STF efficiency as the main(and only)measure of process performance,we remark here the need to refer to productivity(in terms of current density)and make tests with reliable flow PEC systems(with elec-trodes of at least 5-10 cm2)to accelerate the scaling-up process.Using approaches that minimize down-stream separation costs is also mandatory.Many limitations exist in PEC systems,but most can be overcome by proper electrode and cell engineering,thus going beyond the properties of the electrocata-lysts.As examples of current developments,we present the progress of(ⅰ)artificial leaf/tree devices for green H2 distributed production and(ⅱ)a PEC device producing the same chemicals at both cathode and anode parts without downstream operations for green solvent distributed production.Based on these developments,future directions,such as producing fertilizers and food components from the air,are out-lined.The aim is to provide new ideas and research directions from a personal perspective.
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