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Molecular Structure Tailoring of Organic Spacers for High‑Performance Ruddlesden–Popper Perovskite Solar Cells

Nano-Micro Letters 2025年第2期17卷 314-357页

作者： Pengyun Liu Xuejin Li Tonghui Cai Wei Xing Naitao Yang Hamidreza Arandiyan Zongping Shao Shaobin wang Shaomin Liu school of Materials Science and Engineering State Key Laboratory of Heavy Oil ProcessingChina University of Petroleum(East China)Qingdao 266580People’s Republic of China school of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 255049People’s Republic of China Centre for Applied Materials and Industrial Chemistry(CAMIC) School of ScienceRMIT UniversityMelbourneVic 3000Australia wa school of mines:minerals Energy and Chemical Engineering(WASM‑MECE)Curtin UniversityPerthWA 6102Australia school of Chemical Engineering The University of AdelaideAdelaideSA 5005Australia school of Engineering Great Bay UniversityDongguan 523000People’s Republic of China

Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)***,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic ***,these issues can be readily resolved by rationally designing spacer cations of *** review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic *** firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of *** we brought three aspects to attention for designing organic ***,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP *** proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications.

关键词： Ruddlesden-Popper perovskites Low-dimensional perovskite solar cells Organic spacers Molecular structure Design strategies

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Analysis of Micromechanical Properties at the Interface of Pre-wet SBS Modified Asphalt Mixture Based on Molecular Simulation Technology

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 103-113页

作者： CHEN Wuxing CHEN Shuang YU Yan ZHANG Jiangyi XU Haiyang GUO Wei school of mines China University of Mining and TechnologyXuzhou 221000China College of Construction Engineering Jilin Uni-versityChangchun 130026China

The pre-wetting of aggregate surface is a means to improve the interface performance of SBS modified asphalt and *** effect of pre-wetting technology on the interaction between SBS modified asphalt and aggregate was analyzed by molecular dynamics *** diffusion coefficient and concentration distribution of SBS modified asphalt on aggregate surface are *** simulation results show that the diffusion coefficient of the aggregate surface of SBS modified asphalt is increased by 47.6%and 70.5%respectively after 110#asphalt and 130#asphalt are *** concentration distribution of SBS modified asphalt on the aggregate surface after pre-wetting is more *** to the results of interface energy calculation,the interface energy of SBS modified bitumen and aggregate can be increased by about 5%after *** to the results of molecular dynamics simulation,the pre-wetting technology can effectively improve the interface workability of SBS modified bitumen and aggregate,so as to improve the interface performance.

关键词： pre-wet oil-stone interface interface interaction interface mechanics molecular dynamics simulation

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Effect of pyrite content on chalcopyrite flotation under different regrinding conditions

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International Journal of minerals,Metallurgy and Materials 2025年第1期32卷 49-57页

作者： Zejun wang Qing Shi Guofan Zhang Yuxuan Zhu Binbin Li school of minerals Processing and Bioengineering Central South UniversityChangsha 410083China Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources Central South UniversityChangsha 410083China

This study aimed to investigate the effect of varying pyrite(Py)content on copper(Cu)in the presence of different regrinding conditions,which were altered using different types of grinding media:iron,ceramic balls,and their mixture,followed by flotation in the cleaner *** flotation performance of rough Cu concentrate can be improved by changing the regrinding conditions based on the Py *** electron microscopy,X-ray spectrometry,ethylenediaminetetraacetic acid disodium salt extraction,and X-ray photoelectron spectroscopy studies illustrated that when the Py content was high,the use of iron media in regrinding promoted the generation of hydrophilic Fe OOH on the surface of Py and improved the Cu *** ceramic medium with a low Py content prevented excessive Fe OOH from covering the surface of chalcopyrite(Cpy).Electrochemical studies further showed that the galvanic corrosion current of Cpy-Py increased with the addition of Py and became stronger with the participation of iron media.

关键词： chalcopyrite regrinding media pyrite galvanic corrosion flotation

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Catalyst–Support Interaction in Polyaniline‑Supported Ni_(3)Fe Oxide to Boost Oxygen Evolution Activities for Rechargeable Zn‑Air Batteries

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Nano-Micro Letters 2025年第1期17卷 176-190页

作者： Xiaohong Zou Qian Lu Mingcong Tang Jie Wu Kouer Zhang Wenzhi Li Yunxia Hu Xiaomin Xu Xiao Zhang Zongping Shao Liang An Department of Mechanical Engineering The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong SARPeople’s Republic of China Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment TechnologySchool of Environmental Science and TechnologyNanjing University of Information Science and TechnologyNanjing 210044People’s Republic of China Department of Chemistry The Chinese University of Hong KongMa Lin BuildingShatinHong Kong SAR 999077People’s Republic of China wa school of mines:minerals Energy and Chemical Engineering(WASM‑MECE)Curtin UniversityPerthWA 6102Australia Research Institute for Advanced Manufacturing The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong SARPeople’s Republic of China Research Institute for Smart Energy The Hong Kong Polytechnic UniversityHung HomKowloonHong Kong SARPeople’s Republic of China

Catalyst–support interaction plays a crucial role in improving the catalytic activity of oxygen evolution reaction(OER).Here we modulate the catalyst–support interaction in polyaniline-supported Ni_(3)Fe oxide(Ni_(3)Fe oxide/PANI)with a robust hetero-interface,which significantly improves oxygen evolution activities with an overpotential of 270 mV at 10 mA cm^(-2)and specific activity of 2.08 mA cm_(ECSA)^(-2)at overpotential of 300 mV,3.84-fold that of Ni_(3)Fe *** is revealed that the catalyst–support interaction between Ni_(3)Fe oxide and PANI support enhances the Ni–O covalency via the interfacial Ni–N bond,thus promoting the charge and mass transfer on Ni_(3)Fe *** the excellent activity and stability,rechargeable Zn-air batteries with optimum Ni_(3)Fe oxide/PANI are assembled,delivering a low charge voltage of 1.95 V to cycle for 400 h at 10 mA cm^(-2).The regulation of the effect of catalyst–support interaction on catalytic activity provides new possibilities for the future design of highly efficient OER catalysts.

关键词： Catalyst-support interaction Supported catalysts Heterointerface Oxygen evolution reaction Zn-air batteries

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Enhanced High-Temperature Cycling Stability of Garnet-Based All Solid-State Lithium Battery Using a Multi-Functional Catholyte Buffer Layer

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Nano-Micro Letters 2024年第7期16卷 59-73页

作者： Leqi Zhao Yijun Zhong Chencheng Cao Tony Tang Zongping Shao wa school of mines:minerals Energy and Chemical EngineeringCurtin UniversityPerthWA 6102Australia

The pursuit of safer and high-performance lithium-ion batteries(LIBs)has triggered extensive research activities on solid-state batteries,while challenges related to the unstable electrode-electrolyte interface hinder their practical *** has been used extensively to improve the cathode-electrolyte interface in garnet-based all-solid-state LIBs(ASSLBs),while it introduces new concerns about thermal *** this study,we propose the incorporation of a multi-functional flame-retardant triphenyl phos-phate additive into poly(ethylene oxide),acting as a thin buffer layer between LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)cathode and garnet *** electrochemical stability tests,cycling performance evaluations,interfacial thermal stability analysis and flammability tests,improved thermal stability(capacity retention of 98.5%after 100 cycles at 60℃,and 89.6%after 50 cycles at 80℃)and safety characteristics(safe and stable cycling up to 100℃)are *** on various materials characterizations,the mechanism for the improved thermal stability of the interface is *** results highlight the potential of multi-functional flame-retardant additives to address the challenges associated with the electrode-electrolyte interface in ASSLBs at high *** thermal modification in ASSLBs operating at elevated temperatures is also essential for enabling large-scale energy storage with safety being the primary concern.

关键词： Solid-state battery Cathode electrolyte interlayer Flame-retardant additive Cycling stability Interfacial stability

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Electrode/electrolyte interface and interface reactions of solid oxide cells:Recent development and advances

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Progress in Natural Science:Materials International 2021年第3期31卷 341-372页

作者： Shuai He San Ping Jiang wa school of mines: minerals Energy and Chemical Engineering Curtin University

High temperature solid oxide cells(SOCs) consisted of solid oxide fuel cells(SOFCs) and solid oxide electrolysis cells(SOECs) are considered one of the most environmentally friendly and efficient energy conversion technology to store renewal energy from sun and wind in hydrogen and generate electricity from the fuels such as hydrogen and natural gas with high efficiency and very low greenhouse gas emission. Over the last few decades, the development of SOC technologies in particularly SOFCs has experienced significant progress and much of the recent research have paid great efforts in understanding the processes occurring at the electrode/electrolyte interfaces. As electrochemical reactions mainly proceed at the gas, electrode and electrolyte three phase boundaries(TPBs), the microstructure and properties of the electrode/electrolyte interfaces thus play a crucial role in determining the overall cell performance and durability. Herein, we review the progress and achievements in the fundamental researches of the electrode/electrolyte(mainly oxygen-conducting) interface evolution behavior under open circuit and polarization conditions. Studies involving interfacial phenomena such as interface formation and reactions, element segregation and diffusion, micropore formation and delamination are summarized and discussed in detail. Besides, the state of the art characterization techniques that have been employed to examine the interface behavior are reviewed. Finally, the challenges and prospects of the interface research in the improvement of the performance and durability of a SOC device are discussed.

关键词： Review Solid oxide cells SOFCs and SOECs Electrode/electrolyte interface High temperature sintering Effect of polarization

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Electrolyte Engineering for Safer Lithium-Ion Batteries:A Review

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Chinese Journal of Chemistry 2023年第9期41卷 1119-1141页

作者： Chencheng Cao Yijun Zhong Zongping Shao wa school of mines:minerals Energy and Chemical Engineering(WASM-MECE)Curtin UniversityPerthWA 6102Australia

Despite being widely used in people's daily life,the safety issue of lithium-ion batteries(LIBs)has become the major barrier for them to be applied in electrical vehicles(EVs)or large-scale energy ***,due to the use of liquid electrolytes containing flammable solvents which are easily oxidized by excessive and accumulated heat,the potential thermal runaway is a major safety concern for traditional LIBs.A strategy for a safer electrolyte design is controlling the flammability and volatility of the liquid electro-lytes,to effectively prevent thermal runaway,thus avoiding fire or other *** this study,the mechanisms of thermal runa-way and the recent progress in electrolyte engineering toward LIBs were summarized,covering the major strategies including adding flame-retardants,the utilization of ionic liquid electrolytes and solid *** characteristics,strengths and weaknesses of different strategies were *** designing directions of safer electrolytes for the LIBs were also provided.

关键词： Thermal runaway Lithium battery Flame retardant Polymer electrolyte Solid-state electrolyte Electrolyte additives Electrode material Thermal stability

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Highly mass activity electrocatalysts with ultralow Pt loading on carbon black for hydrogen evolution reaction

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International Journal of minerals,Metallurgy and Materials 2025年第1期32卷 182-190页

作者： Shaorou Ke Yajing Zhao Xin Min Yanghong Li Ruiyu Mi Yangai Liu Xiaowen Wu Minghao Fang Zhaohui Huang Engineering Research Center of Ministry of Education for Geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastersNational Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of Geosciences(Beijing)Beijing 100083China

Pt-based nanocatalysts offer excellent prospects for various ***,the low loading of Pt with excellent performance for efficient and stable nanocatalysts still presents a considerable *** this study,nanocatalysts with ultralow Pt content,excellent performance,and carbon black as support were prepared through in-situ ***~2-nm particles uniformly and stably dispersed on carbon black because of the strong s-p-d orbital hybridizations between carbon black and Pt,which suppressed the agglomeration of Pt *** unique structure is beneficial for the hydrogen evolution *** catalysts exhibited remarkable catalytic activity for hydrogen evolution reaction,exhibiting a potential of 100 mV at 100 mA·cm^(-2),which is comparable to those of commercial Pt/C *** activity(1.61 A/mg)was four times that of a commercial Pt/C catalyst(0.37 A/mg).The ultralow Pt loading(6.84wt%)paves the way for the development of next-generation electrocatalysts.

关键词： hydrogen evolution reaction ultralow platinum in-situ synthesis ultrasound

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Borehole deformation based in situ stress estimation using televiewer data

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Journal of Rock Mechanics and Geotechnical Engineering 2023年第9期15卷 2475-2481页

作者： Hamid Roshan Danqi Li Ismet Canbulat Klaus Regenauer-Lieb school of minerals and Energy Resources Engineering University of New South WalesSydneyNSW2052Australia wa school of mines MineralsEnergy and Chemical EngineeringCurtin UniversityPerthWA6102Australia

The knowledge of in situ stress is critical in safe and optimised extraction of minerals and energy *** situ stresses are either measured directly(***)or estimated indirectly(*** breakouts).Borehole breakout analysis for in situ stress estimation is considered a relatively simple and cost-efficient *** technique,however,poses certain limitations such as complexities with progressive formation of breakouts and it requires inputs such as rock failure parameters that are not often *** a result,significant effort has been made to develop new indirect methods for in situ stress *** deformation analysis using four-arm caliper has been recently proposed for in situ stress estimation and has shown promising *** this study,we demonstrate a new methodology that analyses the borehole televiewer data with the technique of borehole deformation analysis to estimate the in situ stresses through a field case *** advantages and challenges of using borehole televiewer data for stress estimation based on borehole deformation analysis are discussed and the best practice to obtain the reliable results is *** limitations of using fourarm caliper and borehole deformation analysis for in situ stress estimation are also discussed and it is shown how televiewer data can overcome such ***,the in situ stress results obtained from televiewer data and borehole deformation analysis are compared with independent in situ stress measurements to show the robustness and reliability of the proposed methodology.

关键词： In situ stress Borehole deformation Televiewer Elastic properties Downhole logging

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Application of supervised machine learning to predict the enhanced gas recovery by CO_(2) injection in shale gas reservoirs

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Petroleum 2024年第1期10卷 124-134页

作者： Moataz Mansi Mohamed Almobarak Jamiu Ekundayo Christopher Lagat Quan Xie Discipline of Petroleum Engineering WA School of Mines:MineralsEnergy and Chemical EngineeringCurtin UniversityWestern AustraliaAustralia

The technique of Enhanced Gas Recovery by CO_(2) injection(CO_(2)-EGR)into shale reservoirs has brought increasing attention in the recent ***_(2)-EGR is a complex geophysical process that is controlled by several parameters of shale properties and engineering ***,more challenges arise when simulating and predicting CO_(2)/CH4 displacement within the complex pore systems of ***,the petroleum industry is in need of developing a cost-effective tool/approach to evaluate the potential of applying CO_(2) injection to shale *** recent years,machine learning applications have gained enormous interest due to their high-speed performance in handling complex data and efficiently solving practical ***,this work proposes a solution by developing a supervised machine learning(ML)based model to preliminary evaluate CO_(2)-EGR *** used for this work was drawn across a wide range of simulation sensitivity studies and experimental *** this work,linear regression and artificial neural networks(ANNs)implementations were considered for predicting the incremental enhanced *** on the model performance in training and validation sets,our accuracy comparison showed that(ANNs)algorithms gave 15%higher accuracy in predicting the enhanced CH4 compared to the linear regression *** ensure the model is more generalizable,the size of hidden layers of ANNs was adjusted to improve the generalization ability of ANNs *** ANNs models presented,ANNs of 100 hidden layer size gave the best predictive performance with the coefficient of determination(R2)of 0.78 compared to the linear regression model with R2 of *** developed MLbased model presents a powerful,reliable and cost-effective tool which can accurately predict the incremental enhanced CH4 by CO_(2) injection in shale gas reservoirs.

关键词： Artificial intelligence Supervised Machine Learning Shale Gas Enhanced Shale Gas Recovery CO_(2)Injection CO_(2)sequestration

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