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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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    Accelerating the evaluation of operational lifetimes of perovskite solar cells and modules

    Fumeng RenQian LuXin MengJing Zhou...
    1-9页
    查看更多>>摘要：Compared with the power conversion efficicency,the operational stability of perovskite solar cells(PSCs)remains a major challenge hampering its commercialization.However,conducting a light soaking test under 1 sun illumination to get a long lifetime is time-consuming and experimentally inefficient.Here,we report an accelerated stability test protocol by aging PSCs under high-intensity light illumination to accelerate the evaluation of their operation stability.It is found that the efficiency degradation rate of a typical inverted PSC is almost linearly dependent on the light intensity within the range of 1 to 4 suns regardless of the encapsulations.The results prove that it can save the light-soaking time by at least 4 times to predict the operation lifetime on the basis of the equivalent light irradiation dose.
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    Achieving an ion-homogenizing and corrosion-resisting interface through nitro-coordination chemistry for stable zinc metal anodes

    Jizhen WangLong JiaoQiaoyun LiuWei Xin...
    10-18页
    查看更多>>摘要：Suppression of uncontrollable dendrite growth and water-induced side reactions of Zn metal anodes is crucial for achieving long-lasting cycling stability and facilitating the practical implementations of aque-ous Zn-metal batteries.To address these challenges,we report in this study a functional nitro-cellulose interfacial layer(NCIL)on the surface of Zn anodes enlightened by a nitro-coordination chemistry strat-egy.The NCIL exhibits strong zincophilicity and superior coordination capability with Zn2+due to the highly electronegative and highly nucleophilic nature of the nitro functional group.This characteristic facilitates a rapid Zn-ion desolvation process and homogeneous Zn plating,effectively preventing H2 evo-lution and dendrite formation.Additionally,the negatively charged surface of NCIL acts as a shield,repel-ling SO42-anions and inhibiting corrosive reactions on the Zn surface.Remarkably,reversible and stable Zn plating/stripping is achieved for over 5100 h at a current density of 1 mA cm-2,which is nearly 30 times longer than that of bare Zn anodes.Furthermore,the Zn//V2O5 full cells with the functional inter-face layer deliver a high-capacity retention of 80.3％for over 10,000 cycles at 5 A g-1.This research offers valuable insights for the rational development of advanced protective interface layers in order to achieve ultra-long-life Zn metal batteries.
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    Plasma-assisted synthesis of porous bismuth nanosheets for electrocatalytic CO2-to-formate reduction

    Liangping XiaoQizheng ZhengRusen ZhouSifan Liu...
    19-28页
    查看更多>>摘要：The electrochemical carbon dioxide reduction(eCO2RR)to formate,driven by clean energy,is a promising approach for producing renewable chemicals and high-value fuels.Despite its potential,further develop-ment faces challenges due to limitations in electrocatalytic activity and durability,especially for non-noble metal-based catalysts.Here,naturally abundant bismuth-based nanosheets that can effectively drive CO2-to-formate electrocatalytic reduction are prepared using the plasma-activated Bi2Se3 followed by a reduction process.Thus-obtained plasma-activated Bi nanosheets(P-BiNS)feature ultrathin struc-tures and high surface areas.Such nanostructures ensure the P-BiNS with outstanding eCO2RR catalytic performance,highlighted by the current density of over 80 mA cm-2 and a formate Faradic efficiency of＞90％.Furthermore,P-BiNS catalysts demonstrate excellent durability and stability without deactivation following over 50 h of operation.The selectivity for formate production is also studied by density func-tional theory(DFT)calculations,validating the importance and efficacy of the stabilization of intermedi-ates(*OCHO)on the P-BiNS surfaces.This study provides a facile plasma-assisted approach for developing high-performance and low-cost electrocatalysts.
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    Defects and morphology engineering for constructing Vs-Ni3S2@Vs-Cu2S nanotube heterojunction arrays toward efficient bifunctional electrocatalyst for overall water splitting

    Wenyuan SunAlan MengLei WangGuicun Li...
    29-40页
    查看更多>>摘要：The development of highly active,stable and inexpensive electrocatalysts for hydrogen production by defects and morphology engineering remains a great challenge.Herein,S vacancies-rich Ni3S2@Cu2S nan-otube heterojunction arrays were in-situ grown on copper foam(Vs-Ni3S2@Vs-Cu2S NHAs/CF)for efficient electrocatalytic overall water splitting.With the merits of nanotube arrays and efficient electronic mod-ulation drived by the 0D vacancy defect and 2D heterojunction defect,the resultant Vs-Ni3S2@Vs-Cu2S NHAs/CF electrocatalyst exhibits excellent electrocatalytic activity with a low overpotential of 47 mV for the hydrogen evolution reaction(HER)at 10 mA cm-2 current density,and 263 mV for the oxygen evolution reaction(OER)at 50 mA cm-2 current density,as well as a cell voltage of 1.48 V at 10 mA cm-2.Moreover,the nanotube heterojunction arrays endows Vs-Ni3S2@Vs-Cu2S NHAs/CF with outstanding stability in long-term catalytic processes,as confirmed by the continuous chronopotentiom-etry tests at current densities of 10 mA cm-2 for 100 h.
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    Cotton pads-derived carbon materials/reduced graphene oxide modified with polypyrrole for electrode of supercapacitors

    Ofelia M.Arias-PinedoElvis O.LópezIvonne E.MonjeR. Soria-Martínez...
    41-53页
    查看更多>>摘要：This study investigates the influence of electropolymerization conditions on the deposition of poly pyrrole(PPy)onto cotton-derived carbon fiber(CF)modified with reduced graphene oxide(rGO)for supercapac-itors applications using an experimental/theorical approach.The surface modification of CF by rGO and/or by PPy electrodeposited at 10,25 and 50 mV s-1 was thoroughly examined physicochemical and elec-trochemically.Composite electrodes comprising CF-rGO-PPy,synthesized via electropolymerization at 25 mV s-1,demonstrated a remarkable increase in capacitance,showcasing～742 F g-1 compared to 153 F g-1 for CF.SEM,N2-surface area,XPS,and TD-DFT approach revealed that the higher capacitance observed in CF-rGO-PPy electrodes underscores the influence of morphology and charged nitrogen spe-cies on the electrochemical performance of these modified electrodes.Notably,this electrode material achieves a specific capacitance retention of～96％of their initial capac-itance after 10000 cycles at 0.5 A g-1 measured in a two-electrodes cell configuration.This work also dis-cusses the influence of the scan rate used for pyrrole electropolymerization on the pseudocapacitance contribution of PPy and its possible effect on the porosity of the material.These results highlight the importance of appropriate electropolymerization conditions that allow obtaining the synergistic effect between CF,rGO and PPy.
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    Constant charge method or constant potential method:Which is better for molecular modeling of electrical double layers?

    Liang ZengXi TanXiangyu JiShiqi Li...
    54-60页
    查看更多>>摘要：In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resource-intensive constant potential method(CPM),potentially leading to inaccuracies.In certain scenarios,CCM can yield results identical to CPM.However,there are no clear guidelines to determine when CCM is sufficient and when CPM is required.Here,we conduct a series of molecular simulations across various electrodes and electrolytes to present a comprehensive comparison between CCM and CPM under different charging modes.Results reveal that CCM approximates CPM effectively in capturing equilibrium EDL and current-driven dynamics in open electrode systems featuring ionic liquids or regular concentra-tion aqueous electrolytes,while CPM is indispensable in scenarios involving organic and highly concen-trated aqueous electrolytes,nanoconfinement effects,and voltage-driven dynamics.This work helps to select appropriate methods for modeling EDL systems,prioritizing accuracy while considering computa-tional efficiency.
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    Multiscale confinement nitridation in molybdenum carbide for efficient hydrogen production

    Liming DaiChenchen FangXiaoyuan ZhangXuefeng Xu...
    61-69页
    查看更多>>摘要：The molybdenum carbide(Mo2C)has been regarded as one of the most cost-efficient and stable electro-catalyst for the hydrogen evolution reaction(HER)by the virtue of its Pt-like electronic structures.However,the inherent limitation of high density of empty valence band significantly reduces its catalytic reactivity by reason of strong hydrogen desorption resistance.Herein,we propose a multiscale confine-ment synthesis method to design the nitrogen-rich Mo2C for modulating the band structure via decom-posing the pre-coordination bonded polymer in a pressure-tight tube sealing system.Pre-bonded C/N-Mo in the coordination precursor constructs a micro-confinement space,enabling the homogeneous nitrog-enization in-situ happened during the formation of Mo2C.Simultaneously,the evolved gases from the precursor decomposition in tube sealing system establish a macro-confinement environment,preventing the lattice N escape and further endowing a continuous nitridation.Combining the multiscale confine-ment effects,the nitrogen-rich Mo2C displays as high as 25％N-Mo concentration in carbide lattice,lead-ing to a satisfactory band structure.Accordingly,the constructed nitrogen-rich Mo2C reveals an adorable catalytic activity for HER in both alkaline and acid solution.It is anticipated that the multiscale confine-ment synthesis strategy presents guideline for the rational design of electrocatalysts and beyond.
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    Deciphering the linear relationship in the activity of the oxygen reduction reaction on Pt electrodes:A decisive role of adsorbates

    Haowen CuiYan-Xia Chen
    70-77页
    查看更多>>摘要：Despite substantial efforts in developing high-performance catalysts for the oxygen reduction reaction(ORR),the persistent challenge lies in the high onset overpotential of the ORR,and the effect of the elec-trolyte solution cannot be ignored.Consequently,we have systematically investigated the impact of adsorbate species and concentration,as well as solution pH,on the ORR activity on Pt(111)and Pt(poly)electrodes.The results all tend to establish a linear quantitative relationship between the onset potential for ORR and the adsorption equilibrium potential of the adsorbate.This finding indicates the decisive role of adsorbates in the onset potential for ORR,suggesting that the adsorption potential of adsorbates can serve as an intuitive criterion for ORR activity.Additional support for this conclusion is derived from experimental results obtained from the oxygen evolution reaction on Pt(poly)with different adsorbate species and from the hydrogen evolution reaction on Pt(111)with iodine adsorption.We further propose both an empirical equation for the onset potential for ORR and the concept of a potential-regulated adsor-bate shielding effect to elucidate the influence of adsorbates on ORR activity.This study provides new insights into the high onset overpotential of the ORR and offers potential strategies for predicting and enhancing ORR activity in the future.
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    Functional thermal fluids and their applications in battery thermal management:A comprehensive review

    Xinyue XuKeyu WengXitao LuYuanqiang Zhang...
    78-101页
    查看更多>>摘要：With the increasing requirements for fast charging and discharging,higher requirements have been put forward for the thermal management of power batteries.Therefore,there is an urgent need to develop efficient heat transfer fluids.As a new type of heat transfer fluids,functional thermal fluids mainly includ-ing nanofluids(NFs)and phase change fluids(PCFs),have the advantages of high heat carrying density,high heat transfer rate,and broad operational temperature range.However,challenges that hinder their practical applications remain.In this paper,we firstly overview the classification,thermophysical prop-erties,drawbacks,and corresponding modifications of functional thermal fluids.For NFs,the high ther-mal conductivity and high convective heat transfer performance were mainly elaborated,while the stability and viscosity issues were also analyzed.And then for PCFs,the high heat carrying density was mainly elaborated,while the problems of supercooling,stability,and viscosity were also analyzed.On this basis,the composite fluids combined NFs and PCFs technology,has been summarized.Furthermore,the thermal properties of traditional fluids,NFs,PCFs,and composite fluids are compared,which proves that functional thermal fluids are a good choice to replace traditional fluids as coolants.Then,battery thermal management system(BTMS)based on functional thermal fluids is summarized in detail,and the thermal management effects and pump consumption are compared with that of water-based BTMS.Finally,the current technical challenges that parameters optimization of functional thermal fluids and structures optimization of BTMS systematically are presented.In the future,it is necessary to pay more attention to using machine learning to predict thermophysical properties of functional thermal fluids and their applications for BTMS under actual vehicle conditions.
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    Catalyst design and structure control for photocatalytic refineries of cellulosic biomass to fuels and chemicals

    Lulu SunNengchao Luo
    102-127页
    查看更多>>摘要：Lignocellulosic biomass is the largest renewable hydrocarbon resource on earth.Converting cellulose,one of the major components of lignocellulose,powered by solar energy is a promising way of providing low-carbon-footprint energy chemicals such as H2,HCOOH,CO,and transportation fuels.State-of-the-art biorefineries target the full use of biomass feedstocks as they have a maximum collection radius of 75-100 km,requesting efficient and selective photocatalysts that significantly influence the outcome of photocatalytic biorefineries.Well-performed photocatalysts can harvest a broad solar spectrum and are active in breaking the chemical bonds of cellulose,decreasing the capital investments of biorefineries.Besides,photocatalysts should control the selectivity of cellulose conversion,originating target products to level down separation costs.Charge separation in photocatalysts and interfacial charge transfer between photocatalysts and cellulose affect the activity and selectivity of cellulose refineries to H2 and carbonaceous chemicals.To account for the challenges above,this review summarizes photocatalysts for the refineries of cellulose and downstream platform molecules based on the types of products,with the structure features of different types of photocatalysts discussed in relation to the targets of either improving the activity or product selectivity.In addition,this review also sheds light on the methods for designing and regulating photocatalyst structures to facilitate photocatalytic refineries of cellulose and platform molecules,meanwhile summarizing proposed future research challenges and opportunities for designing efficient photocatalysts.
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