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Petroleum science 2024年第2期21卷 1415-1428页

作者： Miao Wang Chao Feng School of Business Zhengzhou UniversityZhengzhou450001HenanChina School of Economics and Business Administration Chongqing UniversityChongqing400030China

This paper attempts to explore the decoupling relationship and its drivers between industrial economic increase and energy-related CO_(2) emissions(ICE). Firstly, the decoupling relationship was evaluated by Tapio index. Then, based on the DEA meta-frontier theory framework which taking into account the regional and industrial heterogeneity and index decomposition method, the driving factors of decoupling process were explored mainly from the view of technology and efficiency. The results show that during2000-2019, weak decoupling was the primary state. Investment scale expansion was the largest reason hindering decoupling process of industrial increase from ICE. Both energy saving and production technology achieved significant progress, which facilitated the decoupling process. Simultaneously, the energy technology gap and production technology gap among regions have been narrowed, and played a role in promoting decoupling process. On the contrary, both scale economy efficiency and pure technical efficiency have inhibiting effects on decoupling process. The former indicates that the scale economy of china's industry was not conducive to improve energy efficiency and production efficiency, while the latter indicates that resource misallocation problem may exist in both energy market and product market.

关键词： china's industrial sector Decoupling process Meta-frontier DEA Index decomposition method Driving factors

Random Green's Function Method for Large-Scale Electronic Structure Calculation

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Chinese Physics Letters 2024年第5期41卷 23-29页

作者：汤明发刘畅张爱霞张青云翟佳羽袁声军柯友启 School of Physical science and Technology ShanghaiTech UniversityShanghai 201210China Xiaogan Sichuang Information Technology Co. LTDXiaogan 432000China Institute of Mathematical sciences ShanghaiTech UniversityShanghai 201210China Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education and School of Physics and TechnologyWuhan UniversityWuhan 430072China Wuhan Institute of Quantum Technology Wuhan 430206China

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

关键词： calculation function method

Accurate and efficient remaining useful life prediction of batteries enabled by physics-informed machine learning

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Journal of Energy Chemistry 2024年第4期91卷 512-521页

作者： Liang Ma Jinpeng Tian Tieling Zhang Qinghua Guo Chunsheng Hu School of Mechanical MaterialsMechatronic and Biomedical EngineeringUniversity of WollongongWollongongNSW 2522Australia Department of Electrical and Electronic Engineering and Research Centre for Grid Modernization The Hong Kong Polytechnic UniversityKowloonHong Kong 999077China School of Electrical Computer and Telecommunications EngineeringUniversity of WollongongWollongongNSW 2522Australia School of Advanced Interdisciplinary Studies Ningxia UniversityYinchuan 750000NingxiaChina

The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating conditions,and limited measured *** data-driven methods are perceived as a promising solution,they ignore intrinsic battery physics,leading to compromised accuracy,low efficiency,and low *** response,this study integrates domain knowledge into deep learning to enhance the RUL prediction *** demonstrate accurate RUL prediction using only a single charging ***,a generalisable physics-based model is developed to extract ageing-correlated parameters that can describe and explain battery degradation from battery charging *** parameters inform a deep neural network(DNN)to predict RUL with high accuracy and *** trained model is validated under 3 types of batteries working under 7 conditions,considering fully charged and partially charged *** data from one cycle only,the proposed method achieves a root mean squared error(RMSE)of 11.42 cycles and a mean absolute relative error(MARE)of 3.19%on average,which are over45%and 44%lower compared to the two state-of-the-art data-driven methods,*** its accuracy,the proposed method also outperforms existing methods in terms of efficiency,input burden,and *** inherent relationship between the model parameters and the battery degradation mechanism is further revealed,substantiating the intrinsic superiority of the proposed method.

关键词： Lithium-ion batteries Remaining useful life Physics-informed machine learning

Hard-carbon hybrid Li-ion/metal anode enabled by preferred mesoporous uniform lithium growth mechanism

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Journal of Energy Chemistry 2024年第1期88卷 252-259,I0006页

作者： Fang Yan Yan Liu Yuan Li Yan Wang Zicen Deng Meng Li Zhenwei Zhu Aohan Zhou Ting Li Jingyi Qiu Gaoping Cao Shaobo Huang Biyan Wang Hao Zhang School of Chemistry and Biological Engineering University of Science and TechnologyBeijing 100083China Research Institute of Chemical Defense Beijing 100191China College of Physics and Engineering Henan University of Science and TechnologyLuoyang 471023HenanChina National Base for International science&Technology Cooperation School of ChemistryXiangtan UniversityXiangtan 411105HunanChina Materials and Manufacturing Department Beijing University of TechnologyBeijing 100124China

To achieve high energy density in lithium batteries,the construction of lithium-ion/metal hybrid anodes is a promising *** particular,because of the anisotropy of graphite,hybrid anode formed by graphite/Li metal has low transport kinetics and is easy to causes the growth of lithium dendrites and accumulation of dead Li,which seriously affects the cycle life of batteries and even causes safety ***,by comparing graphite with two types of hard carbon,it was found that hybrid anode formed by hard carbon and lithium metal,possessing more disordered mesoporous structure and lithophilic groups,presents better *** indicate that the mesoporous structure provides abundant active site and storage space for dead *** the synergistic effect of this structure and lithophilic functional groups(–COOH),the reversibility of hard carbon/lithium metal hybrid anode is maintained,promoting uniform deposition of lithium metal and alleviating formation of lithium *** hybrid anode maintains a 99.5%Coulombic efficiency(CE)after 260 cycles at a specific capacity of 500 m Ah/*** work provides new insights into the hybrid anodes formed by carbon-based materials and lithium metal with high specific energy and fast charging ability.

关键词： Hard carbon/Li metal hybrid anode Mesoporous structure Surface oxygen functional group Fast charging Lithium batteries

Degradation analysis and doping modification optimization for high-voltage P-type layered cathode in sodium-ion batteries

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Journal of Energy Chemistry 2024年第2期89卷 1-9,I0002页

作者： Bao Zhang Yi Zhao Minghuang Li Qi Wang Lei Cheng Lei Ming Xing Ou Xiaowei Wang National Engineering Laboratory for High-Efficiency Recovery of Refractory Nonferrous Metals School of Metallurgy and EnvironmentCentral South UniversityChangsha 410083HunanChina Zhejiang Power New Energy Co. LTDZhuji 311800ZhejiangChina

Advancing high-voltage stability of layered sodium-ion oxides represents a pivotal avenue for their progress in energy storage *** this,a comprehensive understanding of the mechanisms underpinning their structural deterioration at elevated voltages remains insufficiently *** this study,we unveil a layer delamination phenomenon of Na_(0.67)Ni_(0.3)Mn_(0.7)O_(2)(NNM)within the 2.0-4.3 V voltage,attributed to considerable volumetric fluctuations along the c-axis and lattice oxygen reactions induced by the simultaneous Ni^(3+)/Ni^(4+)and anion redox *** introducing Mg doping to diminished Ni-O antibonding,the anion oxidation-reduction reactions are effectively mitigated,and the structural integrity of the P2 phase remains firmly intact,safeguarding active sites and precluding the formation of novel *** Na_(0.67)Mg_(0.05)Ni_(0.25)Mn_(0.7)O_(2)(NMNM-5)exhibits a specific capacity of100.7 mA h g^(-1),signifying an 83%improvement compared to the NNM material within the voltage of2.0-4.3 *** investigation underscores the intricate interplay between high-voltage stability and structural degradation mechanisms in layered sodium-ion oxides.

关键词： Soidum ion batteries Layer cathode materials P-type High-voltage performance Degradation analysis

Decoupled water electrolysis:Flexible strategy for pure hydrogen production with small voltage inputs

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Journal of Energy Chemistry 2024年第7期94卷 340-356页

作者： Kexin Zhou Jiahui Huang Daili Xiang Aijiao Deng Jialei Du Hong Liu Institute for Advanced Interdisciplinary Research(iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of ShandongUniversity of JinanJinan 250022ShandongChina State Key Laboratory of Crystal Materials Shandong UniversityJinan 250100ShandongChina Zhengzhou Vocational College of Industrial Safety Zhengzhou 451192HenanChina

Hydrogen gas is widely regarded as an ideal green energy carrier and a potential alternative to fossil fuels for coping with the aggravating energy crisis and environmental ***,the vast majority of the world's hydrogen is produced by reforming fossil fuels;however,this hydrogen-making technology is not sustainable or environmentally friendly because ofits high energy consumption and large carbon ***-driven water splitting(2H_(2)0-2H_(2)+0_(2))becomes an extensively studied scheme for sustain-able hydrogen *** water electrolysis requires an input voltage higher than 1.23 V and forms a gas mixture of H_(2)/O_(2),which results in high electricity consumption,potential safety hazards,and harmful reactive oxygen *** virtue of the auxiliary redox mediators(RMs)as the robust H^(+)/e^(-)reservoir,decoupled electrolysis splits water at a much lower potential and evolves O_(2)(H_(2)O+RMS_(ox)-O_(2)+H-RMS_(red))and H_(2)(H-RMS_(red)-H_(2)+RMS_(ox))at separate times,rates,and spaces,thus pro-ducing the puretarget hydrogen gas *** electrolysis has accelerated the development ofwater electrolysis technology for H_(2) ***,itis still lack of a comprehensive and in-depth review in this field based on different types of *** review highlights the basic principles and critical progress of this emerging water electrolysis mode over the past *** representative examples are then dis-played in detail according to the differences in the *** rational choice and design of RMs have also been ***,novel applications of decoupled water splitting are briefly discussed,including the manufacture of valuable chemicals,Cl_(2) production,pollutant degradation,and other half-reactions in artificial ***,thekey characteristics and disadvantages of each type of mediator are sum-marized in *** addition,we present an outlook for future directions in decoupled

关键词： Hydrogen production Conventional water splitting Decoupled water splitting Redox mediators Biomimetics

Prediction models of burst strength degradation for casing with considerations of both wear and corrosion

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Petroleum science 2024年第1期21卷 458-474页

作者： Jie-Li Wang Wen-Jun Huang De-Li Gao MOE Key Laboratory of Petroleum Engineering China University of PetroleumBeijing102249China State Key Laboratory of Petroleum Resources and Prospecting China University of PetroleumBeijing102249China

Casing wear and casing corrosion are serious problems affecting casing integrity failure in deep and ultra-deep *** paper aims to predict the casing burst strength with considerations of both wear and ***,the crescent wear shape is simplified into three categories according to common mathematical ***,based on the mechano-electrochemical(M-E)interaction,the prediction model of corrosion depth is built with worn depth as the initial condition,and the prediction models of burst strength of the worn casing and corroded casing are ***,the accuracy of different prediction models is validated by numerical simulation,and the main influence factors on casing strength are *** last,the theoretical models are applied to an ultra-deep well in Northwest china,and the dangerous well sections caused by wear and corrosion are predicted,and the corrosion rate threshold to ensure the safety of casing is *** results show that the existence of wear defects results in a stress concentration and enhanced M-E interaction on corrosion depth *** accuracy of different mathematical models is different:the slot ring model is most accurate for predicting corrosion depth,and the eccentric model is most accurate for predicting the burst strength of corroded *** burst strength of the casing will be overestimated by more than one-third if the M-E interaction is neglected,so the coupling effect of wear and corrosion should be sufficiently considered in casing integrity evaluation.

关键词： Deep well Casing integrity Casing wear Casing corrosion Burst strength

Biomass-derived porous carbon with single-atomic cobalt toward high-performance aqueous zinc-sulfur batteries at room temperature

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Journal of Energy Chemistry 2024年第8期95卷 325-335,I0008页

作者： Shenfei Zhao Xiaoshuai Wu Jiliang Zhang Chunjie Li Zixiang Cui Weihua Hu Ruguang Ma Changming Li Institute for Clean Energy&Advanced Materials School of Materials&EnergySouthwest UniversityChongqing 400715China Institute for Materials science and Devices School of Materials Science and EngineeringSuzhou University of Science and TechnologySuzhou 215009JiangsuChina School of Materials science and Engineering Dalian Jiaotong UniversityDalian 116028LiaoningChina

Aqueous zinc-sulfur batteries at room temperature hold great potential for next-generation energy storage technology due to their low cost,safety and high energy ***,slow reaction kinetics and high activation energy at the sulfur cathode pose great challenges for the practical ***,biomass-derived carbon with single-atomic cobalt sites(MMPC-Co)is synthesized as the cathode in Zn-S *** catalysis of single-atom Co sites greatly promotes the transform of cathode electrolyte interface(CEI)on the cathode surface,while offering accelerated charge transfer rate for high conversion reversibility and large electrochemical surface area(ECSA)for high electrocatalytic ***,the rich pore structure not only physically limits sulfur loss,but also accelerates the transport of zinc *** addition,the large pore volume of MMPC-Co is able to relieve the stress effect caused by the volume expansion of Zn S during charge/discharge cycles,thereby maintaining the stability of electrode ***,the sulfur cathode maintains a high specific capacity of 729.96 m A h g^(-1)after 500 cycles at4 A g^(-1),which is much better than most cathode materials reported in the *** work provides new insights into the design and development of room-temperature aqueous Zn-S batteries.

关键词： Biomass-derived carbon Single-atom catalysts Rich pore structure Sulfur cathode Aqueous zinc-sulfur batteries

Controllable synthesis of one-dimensional silicon nanostructures based on the dual effects of electro-deoxidation and the Kirkendall effect

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Nano Research 2024年第9期17卷 7814-7823页

作者： Jianxin Tu Shuo Yu Kui Hao Le Sun Ruicheng Bai Fangzhou Zhang Aijun Li Hong Liu Institute of Materials School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Department of Applied Physics The Hong Kong Polytechnic UniversityKowloon 999077Hong KongChina Shaoxing institute of technology Shanghai UniversityShanghai 200444China

In this study,we successfully synthesized silicon nanotubes(Si-NTs)and silicon nanowires(Si-NWs)in a controllable manner using a catalyst-and template-free method through the direct electrolysis of SiO_(2)in a molten CaCl_(2)-CaO system,while also proposing a novel formation mechanism for ***-NWs are formed through electro-deoxidation when the cell voltage is within the range of CaO decomposition voltage and SiO_(2)decomposition *** subsequently adjusting the voltage to a value between the decomposition potentials of CaCl_(2)and CaO,in-situ electro-deoxidation of CaO takes place on the surface of the synthesized Si-NWs,leading to the formation of a Ca *** formation of Ca-Si diffusion couple leads to the creation of vacancies within the Si-NWs,as the outward diffusion rate of Si exceeds the inward diffusion rate of *** differential diffusion rates between Si and Ca in a diffusion couple exhibit an analogy to the Kirkendall *** vacancies gradually accumulate and merge,forming large voids,which ultimately result in the formation of hollow *** a subsequent dealloying process,the removal of the embedded calcium leads to the formation of *** the application of a carbon coating,the Si-NTs@C composite showcases a high initial discharge capacity of 3211 mAh·g^(-1)at 1.5 A·g^(-1)and exhibits exceptional long-term cycling stability,maintaining a capacity of 977 mAh·g^(-1)after 2000 cycles at 3.0 A·g^(-1).

关键词： silicon nanotubes silicon nanowires lithium-ion battery Kirkendall effect

Novel medium entropy perovskite oxide Sr(FeCoNiMo)_(1/4)O_(3−δ)for zinc-air battery cathode

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Journal of Energy Chemistry 2024年第9期96卷 669-678页

作者： Kaixin Li Juntao Gao Xu Han Qi Shao Zhe Lü School of Physics Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Heilongjiang Provincial Key Laboratory of Advanced Quantum Functional Materials and Sensor Components Harbin 150001HeilongjiangChina

It is widely recognized that the development of ZABs is impeded by the kinetic bottleneck of oxygen evolution reaction(OER)and oxygen reduction reaction(ORR).The application of conformational entropy strategy to oxides often involves introducing multiple elements with different properties,thereby providing outstanding bifunctional catalytic activity for OER/***,the possible underlying catalytic pathways and potential interactions between various components are still poorly *** paper presents an excellent medium-entropy perovskite oxide,Sr(FeCoNiMo)_(1/4)O_(3−δ)(lower overpotential of 301 mV at 10 mA cm^(−2)).Zinc-air batteries employing it as a cathode catalyst demonstrate excellent round-trip efficiency(62%).By combining theoretical calculation with experiments,we aim to establish the link between the electronic structure of perovskite oxides with different elemental compositions and their OER *** reveals that the conformational entropy strategy can simultaneously shift the O 2p-band center and metal d-band center of perovskite oxide towards the vicinity of the Fermi energy level,thereby triggering a more favorable lattice oxygen-participated mechanism(LOM)during the OER *** outcomes of this work provide crucial insights into the role of conformational entropy strategies in oxygen catalysis and offer potential avenues for constructing efficient and stable electrocatalysts.

关键词： Sr(FeCoNiMo)_(1/4)O_(3−δ) Bifunctional catalyst Medium entropy LOM Rechargeable zinc-air batteries