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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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    Rational manipulation of electrolyte to induce homogeneous SEI on hard carbon anode for sodium-ion battery

    Lu LiuLingling XiaoZhi SunShahid Bashir...
    414-429页
    查看更多>>摘要：Sodium-ion batteries(SIBs)have great potential to be the next major energy storage devices due to their obvious advantages and developing advanced electrodes and electrolytes is urgently necessary to pro-mote its future industrialization.However,hard carbon as a state-of-the-art anode of SIBs still suffers from the low initial Coulomb efficiency and unsatisfactory rate capability,which could be improved by forming desirable solid electrolyte interphases(SEI)to some extent.Indeed,the chemistry and morphol-ogy of these interfacial layers are fundamental parameters affecting the overall battery operation,and optimizing the electrolyte to dictate the quality of SEI on hard carbon is a key strategy.Hence,this review summarizes the recent research on SEI design by electrolyte manipulation from solvents,salts,and addi-tives.It also presents some potential mechanisms of SEI formation in various electrolyte systems.Besides,the current advanced characterization techniques for electrolyte and SEI structure analyses have been comprehensively discussed.Lastly,current challenges and future perspectives of SEI formation on hard carbon anode for SIBs are provided from the viewpoints of its compositions,evolution processes,struc-tures,and characterization techniques,which will promote SEI efficient manipulation and improve the performance of hard carbon,and further contribute to the development of SIBs.
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    Postmortem 7Li NMR analysis for assessing the reversibility of lithium metal electrodes in lithium metal batteries

    Jaewon BaekSunha KimHee-Tak KimOc Hee Han...
    430-440页
    查看更多>>摘要：Despite the proficiency of lithium(Li)-7 NMR spectroscopy in delineating the physical and chemical states of Li metal electrodes,challenges in specimen preparation and interpretation impede its progress.In this study,we conducted a comprehensive postmortem analysis utilizing 7Li NMR,employing a stan-dard magic angle spinning probe to examine protective-layer coated Li metal electrodes and LiAg alloy electrodes against bare Li metal electrodes within Li metal batteries(LMBs).Our investigation explores the effects of sample burrs,alignment with the magnetic field,the existence of liquid electrolytes,and precycling on the 7Li NMR signals.Through contrasting NMR spectra before and after cycling,we identi-fied alterations in Li0 and Li+signals attributable to the degradation of the Li metal electrode.Our NMR analyses decisively demonstrate the efficacy of the protective layer in mitigating dendrite and solid elec-trolyte interphase formation.Moreover,we noted that Li+ions near the Li metal surface exhibit magnetic susceptibility anisotropy,revealing a novel approach to studying diamagnetic species on Li metal elec-trodes in LMBs.This study provides valuable insights and practical guidelines for characterizing distinct lithium states within LMBs.
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    Exploring device physics of perovskite solar cell via machine learning with limited samples

    Shanshan ZhaoJie WangZhongli GuoHongqiang Luo...
    441-448页
    查看更多>>摘要：Perovskite solar cells(PSCs)have developed tremendously over the past decade.However,the key factors influencing the power conversion efficiency(PCE)of PSCs remain incompletely understood,due to the complexity and coupling of these structural and compositional parameters.In this research,we demon-strate an effective approach to optimize PSCs performance via machine learning(ML).To address chal-lenges posed by limited samples,we propose a feature mask(FM)method,which augments training samples through feature transformation rather than synthetic data.Using this approach,squeeze-and-excitation residual network(SEResNet)model achieves an accuracy with a root-mean-square-error(RMSE)of 0.833％and a Pearson's correlation coefficient(r)of 0.980.Furthermore,we employ the permu-tation importance(PI)algorithm to investigate key features for PCE.Subsequently,we predict PCE through high-throughput screenings,in which we study the relationship between PCE and chemical com-positions.After that,we conduct experiments to validate the consistency between predicted results by ML and experimental results.In this work,ML demonstrates the capability to predict device performance,extract key parameters from complex systems,and accelerate the transition from laboratory findings to commercial applications.
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    Regulating interfacial chemistry and kinetic behaviors of F/Mo co-doping Ni-rich layered oxide cathode for long-cycling lithium-ion batteries over-20 ℃-60 ℃

    Siqi GuanLin TaoPei TangRuopian Fang...
    449-457页
    查看更多>>摘要：Ni-rich layered oxide cathodes have shown promise for high-energy lithium-ion batteries(LIBs)but are usually limited to mild environments because of their rapid performance degradation under extreme temperature conditions(below 0 ℃ and above 50 ℃).Here,we report the design of F/Mo co-doped LiNi0.8Co0.1Mn0.1O2(FMNCM)cathode for high-performance LIBs from-20 to 60 ℃.F-doping with high electronegativity into the cathode surface is found to enhance the stability of surface lattice structure and protect the interface from side reactions with the electrolyte by generating a LiF-rich surface layer.Concurrently,the Mo6+doping suppresses phase transition,which blocks Li+/Ni2+mixing,and stabilizes lithium-ion diffusion pathway.Remarkably,the FMNCM cathode demonstrates excellent cycling stability at a high cutoff voltage of 4.4 V,even at 60 ℃,maintaining 90.6％capacity retention at 3 C after 150 cycles.Additionally,at temperatures as low as-20 ℃,it retains 77.1％of its room temperature capacity,achieving an impressive 97.5％capacity retention after 500 cycles.Such stable operation under wide temperatures has been further validated in practical Ah-level pouch-cells.This study sheds light on both fundamental mechanisms and practical implications for the design of advanced cathode materials for wide-temperature LIBs,presenting a promising path towards high-energy and long-cycling LIBs with temperature adaptability.
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    Balancing electron transfer and intermediate adsorption ability of metallic Ni-Fe-RE-P bifunctional catalysts via 4f-2p-3d electron interaction for enhanced water splitting

    Hong-Rui ZhaoCheng-Zong YuanChenliang ZhouWenkai Zhao...
    458-465页
    查看更多>>摘要：Balancing electron transfer and intermediate adsorption ability of bifunctional catalysts via tailoring elec-tronic structures is crucial for green hydrogen production,while it still remains challenging due to lack-ing efficient strategies.Herein,one efficient and universal strategy is developed to greatly regulate electronic structures of the metallic Ni-Fe-P catalysts via in-situ introducing the rare earth(RE)atoms(Ni-Fe-RE-P,RE=La,Ce,Pr,and Nd).Accordingly,the as-prepared optimal Ni-Fe-Ce-P/CC self-supported bifunctional electrodes exhibited superior electrocatalytic activity and excellent stability with the low overpotentials of 247 and 331 mV at 100 mA cm-2 for HER and OER,respectively.In the assem-bled electrolyzer,the Ni-Fe-Ce-P/CC as bifunctional electrodes displayed low operation potential of 1.49 V to achieve a current density of 10 mA cm-2,and the catalytic performance can be maintained for 100 h.Experimental results combined with density functional theory(DFT)calculation reveal that Ce doping leads to electron decentralization and crystal structure distortion,which can tailor the band structures and d-band center of Ni-Fe-P,further increasing conductivity and optimizing intermediate adsorption energy.Our work not only proposes a valuable strategy to regulate the electron transfer and intermediate adsorption of electrocatalysts via RE atoms doping,but also provides a deep under-standing of regulation mechanism of metallic electrocatalysts for enhanced water splitting.
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    Designing ultrastable P2/O3-type layered oxides for sodium ion batteries by regulating Na distribution and oxygen redox chemistry

    Jieyou HuangWeiliang LiDebin YeLin Xu...
    466-476页
    查看更多>>摘要：P2/O3-type Ni/Mn-based layered oxides are promising cathode materials for sodium-ion batteries(SIBs)owing to their high energy density.However,exploring effective ways to enhance the synergy between the P2 and O3 phases remains a necessity.Herein,we design a P2/O3-type Na0.76Ni0.31Zn0.07Mn0.50Ti0.12O2(NNZMT)with high chemical/electrochemical stability by enhancing the coupling between the two phases.For the first time,a unique Na+extraction is observed from a Na-rich O3 phase by a Na-poor P2 phase and systematically investigated.This process is facilitated by Zn2+/Ti4+dual doping and calcina-tion condition regulation,allowing a higher Na+content in the P2 phase with larger Na+transport chan-nels and enhancing Na+transport kinetics.Because of reduced Na+in the O3 phase,which increases the difficulty of H+/Na+exchange,the hydrostability of the O3 phase in NNZMT is considerably improved.Furthermore,Zn2+/Ti4+presence in NNZMT synergistically regulates oxygen redox chemistry,which effectively suppresses O2/CO2 gas release and electrolyte decomposition,and completely inhibits phase transitions above 4.0 V.As a result,NNZMT achieves a high discharge capacity of 144.8 mA h g-1 with a median voltage of 3.42 V at 20 mA g-1 and exhibits excellent cycling performance with a capacity reten-tion of 77.3％for 1000 cycles at 2000 mA g-1.This study provides an effective strategy and new insights into the design of high-performance layered-oxide cathode materials with enhanced structure/interface stability for SIBs.
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    A multifunctional electrolyte additive for zinc-ion capacitors with low temperature resistant and long lifespan

    Ming SunZekai ZhangShuqing FuYifan Zhang...
    477-485页
    查看更多>>摘要：Aqueous zinc-ion capacitors(ZICs)are considered as potential candidates for next generation electro-chemical energy storage devices due to their high safety and low cost.However,the existing aqueous ZICs usually have the problems of zinc dendrite growth and unsatisfactory performance at low temper-ature.Herein,an erythritol(Eryt)additive with inhibition of zinc dendrites and anti-freezing capability was introduced into the ZnSO4 electrolyte.The experimental characterization and theoretical calculation confirm that the Eryt adsorbed on the surface of zinc anodes regulates the deposition orientation of Zn2+and inhibits the formation of dendrites.It also reconstructs the solvation structure in the electrolyte to reduce water activity,enabling the electrolyte to have a lower freezing point for operation at low tem-perature.With the assistance of Eryt,the Zn||Zn symmetric cell exhibits a long cycle life of 2000 h,while the ZIC assembled with activated carbon(AC)cathode and zinc anode(Zn||AC)maintains a capacity retention of 98.2％after 30,000 cycles at a current density of 10 A g-1(even after 10,000 cycles at-20 ℃,the capacity retention rate reached 94.8％.).This work provides a highly scalable,low-cost and effective strategy for the protection of the anodes of low-temperature aqueous ZICs.
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    Understanding the catalytic performance and deactivation behaviour of second-promoter doped Pt/WOx/γ-Al2O3 catalysts in the glycerol hydrogenolysis for selective and cleaner production of 1,3-propanediol

    Rafik Rajjak ShaikhSittichai DamruangRais Ahmad KhanSupareak Praserthdam...
    486-507页
    查看更多>>摘要：The selective aqueous-phase glycerol hydrogenolysis is a promising reaction to produce commercially useful 1,3-propanediol(1,3-PDO).The Pt-WOx bifunctional catalyst can catalyse the glycerol hydrogenol-ysis but the catalyst deactivation via sintering,metal leaching,and coking can predominantly occur in the aqueous phase reaction.In this work,the effect of reaction temperature,pressure and second promoter(Cu,Fe,Rh,Mn,Re,Ru,Ir,Sn,B,and P)on catalytic performance and deactivation behaviour of Pt/WOx/γ-Al2O3 was investigated.When doped with Rh,Mn,Re,Ru,Ir,B,and P,the second promoter boosts cat-alytic activity by promoting great dispersion of Pt on support and increasing Pt surface area.The increased Brønsted acid sites lead to selective synthesis of 1,3-PDO than 1,2-propanediol(1,2-PDO).The characterization studies of fresh and spent catalysts reveal that the main cause of catalyst deactiva-tion is the Pt sintering,as interpreted based on XRD,CO chemisorption,and TEM analyses.The Pt sinter-ing is affected depending on the second promoter that can either or reduce the interaction between Pt,WOx,and Al2O3.As an electron acceptor of Pt in Pt/WOx/γ-Al2O3,Re and Mn as second promoters resulted in increased Pt2+on the catalytic surface,which strengthens the contact between Pt and γ-Al2O3 and WOx,resulting in a decrease in Pt sintering.The metal leaching and coking are not affected by the presence of second promoter.The catalyst modified with a second promoter possesses improved catalytic activity and 1,3-PDO production,however the stability continues to remain a challenge.The present work unrav-elled the determining parameters of catalytic activity and deactivation,thus providing a promising pro-tocol toward effective catalysts for glycerol hydrogenolysis.
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    In situ generation of oxyanions-decorated cobalt(nickel)oxyhydroxide catalyst with high corrosion resistance for stable and efficient seawater oxidation

    Fengting LuoPei YuJueting XiangJunjie Jiang...
    508-516页
    查看更多>>摘要：The development of efficient and robust anode materials for stable alkaline seawater electrolysis is severely limited by chlorine evolution reaction and chloride corrosion.Here,the sulfur-doped cobalt-nickel bimetallic phosphides(CoNiPS)are specifically designed as a pre-catalyst for navigating a surface reconstruction to fabricate the anions(PO43-and SO42-)-decorated Co(Ni)OOH catalyst(R-CoNiPS)with exceptional durability and high activity for stable alkaline seawater oxidation(ASO).Various experiment techniques together with theoretical simulations both demonstrate that the in situ-generated PO43-and SO42-anions on catalyst surface can improve the oxygen evolution reaction(OER)activity,regulating and stabilizing the catalytic active species Co(Ni)OOH,as well as make a critical role in inhibiting the adsorp-tion of chloride ions and extending the service life of electrode.Therefore,this R-CoNiPS electrode exhi-bits superb OER activity toward ASO and stands out among the non-precious ASO electrocatalysts reported recently,requiring low overpotentials of 420 and 440 mV to attain large current densities of 500 and 1000 mA cm-2 in an alkaline natural seawater electrolyte,respectively.Particularly,the catalyst displays a negligible chloride corrosion at room temperature during ASO operation(＞200 h)at 500 mA cm-2.This work opens up a new viewpoint for designing high-activity and durable electrocata-lysts for seawater electrolysis.
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    Ribosome-inspired electrocatalysts inducing preferential nucleation and growth of three-dimensional lithium sulfide for high-performance lithium-sulfur batteries

    Zhen WuWenfeng HeJiahui YangYunuo Gu...
    517-526页
    查看更多>>摘要：Nucleation of lithium sulfide(Li2S)induced by electrocatalysts plays a crucial role in mitigating the shut-tle effect.However,short-chain polysulfides on electrocatalysts surfaces tend to re-dissolve into elec-trolytes,delaying Li2S supersaturation and its nucleation.In this study,we draw inspiration from the ribosome-driven protein synthesis process in cells to prepare ultrasmall nitrogen-doped MoS2 nanocrys-tals anchored on porous nitrogen-doped carbon networks(N-MoS2-NC)electrocatalysts.Excitedly,the ex-situ SEM demonstrates that ribosome-inspired N-MoS2-NC electrocatalysts induce early nucleation and rapid growth of three-dimensional Li2S during discharge.Theoretical calculations reveal that the Li-S bond length in N-MoS2-Li2S(100)is shorter,and the corresponding interfacial formation energy is lower than in MoS2-Li2S(100).This accelerated conversion of lithium polysulfides to Li2S can enhance the utilization of active substances and inhibit the shuttle effect.This study highlights the potential of ribosome-inspired N-MoS2-NC in improving the electrochemical stability of Li-S batteries,providing valuable insights for future electrocatalyst design.
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