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Review of characterization and modeling of polymer electrolyte fuel cell catalyst layer: The blessing and curse of ionomer

Jun HUANG, Zhe LI, Jianbo ZHANG

Frontiers in Energy 2017, Volume 11, Issue 3,   Pages 334-364 doi: 10.1007/s11708-017-0490-6

Abstract: Ionomer impregnation represents a milestone in the evolution of polymer electrolyte fuel cell (PEFC) catalyst layers. Ionomer acts as the binder, facilitates proton transport, and thereby drastically improves catalyst utilization and effectiveness. However, advanced morphological and functional characterizations have revealed that up to 60% of Pt nanoparticles can be trapped in the micropores of carbon support particles. Ionomer clusters and oxygen molecules can hardly enter into micropores, leading to low Pt utilization and effectiveness. Moreover, the ionomer thin-films covering Pt nanoparticles can cause significant mass transport loss especially at high current densities. Ionomer-free ultra-thin catalyst layers (UTCLs) emerge as a promising alternative to reduce Pt loading by improving catalyst utilization and effectiveness, while theoretical issues such as the proton conduction mechanism remain puzzling and practical issues such as the rather narrow operation window remain unsettled. At present, the development of PEFC catalyst layer has come to a crossroads: staying ionomer-impregnated or going ionomer-free. It is always beneficial to look back into the past when coming to a crossroads. This paper addresses the characterization and modeling of both the conventional ionomer-impregnated catalyst layer and the emerging ionomer-free UTCLs, featuring advances in characterizing microscale distributions of Pt particles, ionomer, support particles and unraveling their interactions; advances in fundamental understandings of proton conduction and flooding behaviors in ionomer-free UTCLs; advances in modeling of conventional catalyst layers and especially UTCLs; and discussions on high-impact research topics in characterizing and modeling of catalyst layers.

Keywords： electrolyte fuel cell     ultra-thin catalyst layer     electrostatic interactions     characterization and modeling     structure-property-performancerelation     water management    

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Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 9, doi: 10.1007/s11783-023-1711-3

Abstract:

● Properties and performance relationship of CSBT photocatalyst were

Keywords： Black TiO2     Core-shell structure     Property-performance relationship     Agro-industrial effluent    

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A computational toolbox for molecular property prediction based on quantum mechanics and quantitativestructure-property relationship

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 152-167 doi: 10.1007/s11705-021-2060-z

Abstract: During these periods, one of the most important keys is the molecular property prediction models associatingIn this paper, a framework combining quantum mechanics and quantitative structure-property relationshipis established for fast molecular property predictions, such as activity coefficient, and so forth.experimental data), which are stored in a database and further provided for the developments of quantitative structure-propertyThe whole framework has been carried out within a molecular property prediction toolbox.

Keywords： molecular property     quantum mechanics     quantitative structure-property relationship     heat of reaction    

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Self-sacrificial templating synthesis of flower-like nickel phyllosilicates and its application as high-performance

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 4,   Pages 484-497 doi: 10.1007/s11705-021-2074-6

Abstract: firstly synthesized using a mild self-sacrificial templating method, and the morphology and lamellar structure

Keywords： nickel phyllosilicate     flow-like structure     mechanical property     thermal stability     tribological performance    

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Estimation of photolysis half-lives of dyes in a continuous-flow system with the aid of quantitative structure-property

Davoud BEIKNEJAD,Mohammad Javad CHAICHI

Frontiers of Environmental Science & Engineering 2014, Volume 8, Issue 5,   Pages 683-692 doi: 10.1007/s11783-014-0680-y

Abstract: A quantitative structure-property relationship (QSPR) study was carried out using 21 descriptors based

Keywords： dye     photolysis half-life     quantitative structure-property relationship     continuous-flow     stepwise multiple    

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Application of quantum chemical descriptors into quantitative structure-property relationship models

Yueping BAO, Qiuying HUANG, Wenlong WANG, Jiangjie XU, Fan JIANG, Chenghong FENG

Frontiers of Environmental Science & Engineering 2011, Volume 5, Issue 4,   Pages 505-511 doi: 10.1007/s11783-011-0318-2

Abstract: Quantitative structure-property relationship (QSPR) models were developed for prediction of photolysis

Keywords： photolysis     polychlorinated biphenyls (PCBs)     quantitative structure-property relationships (QSPRs)     quantum    

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Catalytic ozonation performance and surface property of supported Fe

Zhendong YANG, Aihua LV, Yulun NIE, Chun HU

Frontiers of Environmental Science & Engineering 2013, Volume 7, Issue 3,   Pages 451-456 doi: 10.1007/s11783-013-0509-0

Abstract: The effect and morphology of supported Fe O on catalytic ozonation performance were investigated basedMoreover, Fe O /Al O exhibited stable structure and activity after successive cyclic experiments.

Keywords： heterogeneous catalytic ozonation     iron oxides     supports     surface Lewis acid sites    

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Performance of steel bridge deck pavement structure with ultra high performance concrete based on resin

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 4,   Pages 895-904 doi: 10.1007/s11709-021-0759-z

Abstract: research investigated a pavement system on steel bridge decks that use epoxy resin (EP) bonded ultra-high performanceThrough FEM analysis and static and dynamic bending fatigue tests of the composite structure, the influencesthe interface of the pavement layer, reinforcement, and different paving materials on the structural performanceThe results show that the resin bonded UHPC pavement structure can reduce the weld strain in the steela fixed force of 9 kN and a dynamic deflection of 0.35 mm, which meets the requirements for fatigue performance

Keywords： steel bridge deck pavement     ultra-high-performance concrete     epoxy resin     composite structure     bendingfatigue performance    

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novel strategy for the construction of silk fibroin–SiO composite aerogel with enhanced mechanical propertyand thermal insulation performance

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 3,   Pages 288-297 doi: 10.1007/s11705-022-2222-7

Abstract: application of silica aerogels is an enormous challenge due to the difficulties in improving both mechanical propertyand thermal insulation performance.In this work, silk fibroin was used as scaffold to improve the mechanical property and thermal insulationperformance of silica aerogels.and thermal insulation performance, which has potential application as thermal insulation material.

Keywords： silica aerogel     silk fibroin     impregnation     thermal insulation     mechanical property    

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A dream of flotation reagents—study on relationship between structure and property of flotation reagents

Wang Dianzuo,Yao Guocheng

Strategic Study of CAE 2011, Volume 13, Issue 3,   Pages 4-11

Abstract: The paper introduced the relationship between structure and property of flotation reagents, and discussed

Keywords： mineral processing     flotation reagents     structure and property     molecular design    

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Influence of pore structure on biologically activated carbon performance and biofilm microbial characteristics

Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 6, doi: 10.1007/s11783-021-1419-1

Abstract:

• Pore structure affects biologically activated carbon performance.

Keywords： Granular activated carbon     Biologically activated carbon filter     Bacterial community structure     Porestructure    

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Effects of Structure of Opening Hole in Gas Distributor on Drying Property for Fluidized Bed Drier

Liu Wei,Tang Wencheng

Strategic Study of CAE 2006, Volume 8, Issue 2,   Pages 47-50

Abstract:

The gas distributor, as an important part of fluidized bed drier, can directly affect the drying propertyFor comparing the hydromechanics and heat transfer property of inert particles fluidized bed drier betweenThe experimental results show that the structure of opening hole in gas distributor has a dual effectBased on the results, some advice was proposed in the conclusion of this paper to improve the performance

Keywords： gas distributor     structure with opening hole     inert particles     fluidized bed     drying property    

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Modeling process-structure-property relationships for additive manufacturing

Wentao YAN, Stephen LIN, Orion L. KAFKA, Cheng YU, Zeliang LIU, Yanping LIAN, Sarah WOLFF, Jian CAO, Gregory J. WAGNER, Wing Kam LIU

Frontiers of Mechanical Engineering 2018, Volume 13, Issue 4,   Pages 482-492 doi: 10.1007/s11465-018-0505-y

Abstract:

This paper presents our latest work on comprehensive modeling of process-structure-property relationshipsTo illustrate the process-structure relationship, the multi-scale multi-physics process modeling startsTo link structure and properties, a high-efficiency mechanistic model, self-consistent clustering analyses

Keywords： additive manufacturing     thermal fluid flow     data mining     material modeling    

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Latest advances in ionic liquids promoted synthesis and application of advanced biomass materials

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 7,   Pages 798-816 doi: 10.1007/s11705-023-2316-x

Abstract: The utilization of sustainable resources provides a path to relieving the problem of dependence on fossil resources. In this context, biomass materials have become a feasible substitute for petroleum-based materials. The development of biomass materials is booming and advanced biomass materials with various functional properties are used in many fields including medicine, electrochemistry, and environmental science. In recent years, ionic liquids have been widely used in biomass pretreatments and processing owing to their “green” characteristics and adjustable physicochemical properties. Thus, the effects of ionic liquids in biomass materials generation require further study. This review summarizes the multiple roles of ionic liquids in promoting the synthesis and application of advanced biomass materials as solvents, structural components, and modifiers. Finally, a prospective approach is proposed for producing additional higher-quality possibilities between ionic liquids and advanced biomass materials.

Keywords： biomass materials     functional materials     ionic liquids     synthesis     structure-property relationship    

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Seismic performance of prestressed concrete stand structure supporting retractable steel roof

Yiyi CHEN, Dazhao ZHANG, Weichen XUE, Wensheng LU

Frontiers of Structural and Civil Engineering 2009, Volume 3, Issue 2,   Pages 117-124 doi: 10.1007/s11709-009-0024-3

Abstract: roof status has great effect on the natural period, vibration modes, and seismic response of the whole structure

Keywords： retractable steel roof     prestressed concrete     seismic performance     failure mode     inelastic response     shaking    

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Title Author Date Type Operation

Review of characterization and modeling of polymer electrolyte fuel cell catalyst layer: The blessing and curse of ionomer

Jun HUANG, Zhe LI, Jianbo ZHANG

Journal Article

Property-performance relationship of core-shell structured black TiO photocatalyst for environmental

Journal Article

A computational toolbox for molecular property prediction based on quantum mechanics and quantitativestructure-property relationship

Journal Article

Self-sacrificial templating synthesis of flower-like nickel phyllosilicates and its application as high-performance

Journal Article

Estimation of photolysis half-lives of dyes in a continuous-flow system with the aid of quantitative structure-property

Davoud BEIKNEJAD,Mohammad Javad CHAICHI

Journal Article

Application of quantum chemical descriptors into quantitative structure-property relationship models

Yueping BAO, Qiuying HUANG, Wenlong WANG, Jiangjie XU, Fan JIANG, Chenghong FENG

Journal Article

Catalytic ozonation performance and surface property of supported Fe

Zhendong YANG, Aihua LV, Yulun NIE, Chun HU

Journal Article

Performance of steel bridge deck pavement structure with ultra high performance concrete based on resin

Journal Article

novel strategy for the construction of silk fibroin–SiO composite aerogel with enhanced mechanical propertyand thermal insulation performance

Journal Article

A dream of flotation reagents—study on relationship between structure and property of flotation reagents

Wang Dianzuo,Yao Guocheng

Journal Article

Influence of pore structure on biologically activated carbon performance and biofilm microbial characteristics

Journal Article

Effects of Structure of Opening Hole in Gas Distributor on Drying Property for Fluidized Bed Drier

Liu Wei,Tang Wencheng

Journal Article

Modeling process-structure-property relationships for additive manufacturing

Wentao YAN, Stephen LIN, Orion L. KAFKA, Cheng YU, Zeliang LIU, Yanping LIAN, Sarah WOLFF, Jian CAO, Gregory J. WAGNER, Wing Kam LIU

Journal Article

Latest advances in ionic liquids promoted synthesis and application of advanced biomass materials

Journal Article

Seismic performance of prestressed concrete stand structure supporting retractable steel roof

Yiyi CHEN, Dazhao ZHANG, Weichen XUE, Wensheng LU

Journal Article