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Simulation and calibration of granules using the discrete element method

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Particuology 2014年第1期12卷 40-43页

作者： peter müller Jürgen Tomas Institute of Process Engineering Mechanical Process EngineeringOtto-von-Guericke University MagdeburgUniversitätsplatz 239106 MagdeburgGermany

The discrete element method （DEm）, developed by Cundall and 5track to solve geomecnamcai problems, is used to simulate the mechanical behavior of granules. According to the DEm, an individ ual granule can be modeled as a realistic mechanical system consisting of primary particles bonded by interaction forces. Cranulometric properties of the model material, zeolite 4A, have been measured to determine their macro properties. To investigate the compression behavior, a compression test was performed using a strength tester on single granules between two pistons. A modeled granule consisting of more than 22,000 primary particles was generated. The micro properties of the modeled granule have been precisely set to allow its macro properties to be equivalent to the macro properties of zeolite 4A granules. To calibrate the mechanical properties, diametrical compression was simulated using two rigid walls stressed at a constant stressing velocity, The force-displacement curve of the modeled granule at compression has been calibrated by the experimental curve of zeolite 4A.

关键词： Discrete element method material behavior Granulation

Efficient and stable Ruddlesden-Popper layered tin-based perovskite solar cells enabled by ionic liquid-bulky spacers

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Science China Chemistry 2021年第9期64卷 1577-1585页

作者： Jian Qiu Yuexin Lin Xueqin Ran Qi Wei Xingyu Gao Yingdong Xia peter müller-Buschbaum Yonghua Chen Key Laboratory of Flexible Electronics(KLOFE)&Institution of Advanced materials(IAm) Nanjing Tech University(NanjingTech)Nanjing211816China Frontiers Science Center for Flexible Electronics Xi’an Institute of Flexible Electronics(IFE)and Xi’an Institute of Biomedical Materials&EngineeringNorthwestern Polytechnical UniversityXi’an710072China Shanghai Synchrotron Radiation Facility Shanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai201204China Lehrstuhl für Funktionelle materialien Physik DepartmentTechnische Universität München85748GarchingGermany Heinz maier-Leibnitz Zentrum(mLZ) Technische Universität München85748GarchingGermany

The crucial component,bulky spacers,in two-dimensional Ruddlesden-Popper(2 DRP)layered tin(Sn)perovskites are highly limited by halide ammonium salts,leading to the insufficient control of complex crystallization process due to the limited interaction between bulky spacers and 2 DRP perovskite ***,we report an ionic liquid-bulky spacer,butylammounium acetate(BAAc O),for constructing efficient and stable 2 DRP Sn-based perovskite solar cells(PSCs).In contrast to the traditional halide ammonium bulky spacer,butylammounium iodide(BAI),the Ac O^(-)-functional group in BAAc O has a strong interaction with formamidine ions(FA^(+))and Sn2+.The inter-component interaction allows the formation of controllable intermediates for the favorable growth of smooth,dense,and highly oriented perovskite films.A PSC with power conversion efficiency of 10.36%(7.16%for BAI)is achieved,which is the highest report,along with improved stability with~90%retained after~600 h storage in N_(2) atmosphere without any encapsulation.

关键词： lead-free Ruddlesden-Popper phase Sn-based perovskite solar cells ionic liquid-bulky spacer crystallization kinetic control

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Data mining and machine Learning methods Applied to A Numerical Clinching model

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Computer modeling in Engineering & Sciences 2018年第12期117卷 387-423页

作者： marco Gotz Ferenc Leichsenring Thomas Kropp peter müller Tobias Falk Wolfgang Graf michael Kaliske Welf-Guntram Drossel Institute for Structural Analysis Technische UniversitatDresdenGermany Fraunhofer Institute for machine Tools and Forming Technology DresdenGermany

Numerical mechanical models used for design of structures and processes are very complex and high-dimensionally *** understanding of the model characteristics is of interest for engineering tasks and subsequently for an efficient *** analysis methods are known and available to gain insight into existing *** this contribution,selected methods from various fields are applied to a real world mechanical engineering example of a currently developed clinching *** selection of introduced methods comprises techniques of machine learning and data mining,in which the utilization is aiming at a decreased numerical *** methods of choice are basically discussed and references are given as well as challenges in the context of meta-modelling and sensitivities are *** incremental knowledge gain is provided by a step-bystep application of the numerical methods,whereas resulting consequences for further applications are ***,a visualisation method aiming at an easy design guideline is *** visual decision maps incorporate the uncertainty coming from the reduction of dimensionality and can be applied in early stage of design.

关键词： Design data mining computational intelligence meta-modelling permissible design space sensitivity analysis self-organizing maps inverse problem early stage of design clinching

Not yet IDEAL?-evidence and learning curves of minimally invasive pancreaticoduodenectomy

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Hepatobiliary Surgery and Nutrition 2020年第6期9卷 812-814页

作者： Felix Nickel Caelán max Haney Beat-peter müller-Stich Thilo Hackert Department of General Visceraland Transplantation SurgeryHeidelberg UniversityHospital HeidelbergHeidelbergGermany

In response to“What’s the next step in evaluating laparoscopic pancreaticoduodenectomy?”(http://***/article/view/29682/25710)by Fernando Burdío,Luís Grand and Ignasi *** and foremost,we would like to express our sincere condolences on the passing of Professor Ignasi *** were deeply saddened to hear of this and wish his family,friends and colleagues strength in these difficult times of grieving.

关键词： IDEAL learning Grand

High-Performance and Large-Area Inverted Perovskite Solar Cells Based on NiO_(x) Films Enabled with A Novel microstructure-Control Technology

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Energy & Environmental materials 2024年第1期7卷 153-159页

作者： Guibin Shen Xin Li Yuqin Zou Hongye Dong Dongping Zhu Yanglin Jiang Xin Ren Ng Fen Lin peter müller-Buschbaum Cheng mu Key Laboratory of Advanced Light Conversion materials and Biophotonics Department of ChemistryRenmin University of ChinaBeijing 100872China Solar Energy Research Institute of Singapore(SERIS) National University of SingaporeSingapore 117574Singapore Physik-Department Lehrstuhl für Funktionelle MaterialienTechnische Universität MünchenJames-Franck-Straße 185748Garching Germany Heinz maier-Leibnitz Zentrum(mLZ) Technische Universität MünchenLichtenbergstr.185748Garching Germany

The improvement in the efficiency of inverted perovskite solar cells(PSCs)is significantly limited by undesirable contact at the NiO_(x)/perovskite *** this study,a novel microstructure-control technology is proposed for fabrication of porous NiO_(x)films using Pluronic P123 as the structure-directing agent and acetylacetone(AcAc)as the coordination *** synthesized porous NiO_(x)films enhanced the hole extraction efficiency and reduced recombination defects at the NiO_(x)/perovskite ***,without any modification,the power conversion efficiency(PCE)of the PSC with mAPbl_(3)as the absorber layer improved from 16.50%to 19.08%.moreover,the PCE of the device composed of perovskite Cs0.05(mA_(0.15)FA_(0.85))_(0.95)Pb(I_(0.85)Br_(0.15))_(3)improved from 17.49%to 21.42%.Furthermore,the application of the fabricated porous NiO_(x)on fluorine-doped tin oxide(FTO)substrates enabled the fabrication of large-area PSCs(1.2 cm^(2))with a PCE of 19.63%.This study provides a novel strategy for improving the contact at the NiO_(x)/perovskite interface for the fabrication of high-performance large-area perovskite solar cells.

关键词： interfacial contact inverted and large-area perovskite solar cells photovoltaic materials porous NiO_(x)films renewable energy

Stability of mixed-halide wide bandgap perovskite solar cells: Strategies and progress

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Journal of Energy Chemistry 2021年第10期30卷 395-415,I0011页

作者： Lei Tao Jian Qiu Bo Sun Xiaojuan Wang Xueqin Ran Lin Song Wei Shi Qi Zhong Ping Li Hui Zhang Yingdong Xia peter müller-Buschbaum Yonghua Chen Key Laboratory of Flexible Electronics(KLOFE)&Institution of Advanced materials(IAm) Nanjing Tech University(Nanjing Tech)Nanjing 211816JiangsuChina Frontiers Science Center for Flexible Electronics Xi’an Institute of Flexible Electronics(IFE)and Xi’an Institute of Biomedical Materials&EngineeringNorthwestern Polytechnical UniversityXi’an 710072ShaanxiChina Key Laboratory of Advanced Textile materials&manufacturing Technology Ministry of EducationZhejiang Sci-Tech UniversityHangzhou 310018ZhejiangChina Lehrstuhl für Funktionelle materialien Physik DepartmentTechnische Universität MünchenJames-Franck-Str.185748 GarchingGermany Heinz maier-Leibnitz Zentrum(mLZ) Technische Universität MünchenLichtenbergstr.185748 GarchingGermany

Benefiting from the superior optoelectronic properties and low-cost manufacturing techniques,mixedhalide wide bandgap(WBG)perovskite solar cells(PSCs)are currently considered as ideal top cells for fabricating multi-junction or tandem solar cells,which are designed to beyond the Shockley-Queisser(S-Q)limit of single-junction solar ***,the poor long-term operational stability of WBG PSCs limits their further employment and hinders the marketization of multi-junction or tandem solar *** this review,recent progresses on improving environmental stability of mixed-halide WBG PSCs through different strategies,including compositional engineering,additive engineering,interface engineering,and other strategies,are ***,the outlook and potential direction are discussed and explored to promote the further development of WBG PSCs and their applications in multijunction or tandem solar cells.

关键词： mixed halide perovskite Stability Tandem solar cells Wide bandgap perovskite

Residual solvent extraction via chemical displacement for efficient and stable perovskite solar cells

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Journal of Energy Chemistry 2021年第10期30卷 8-14,I0001页

作者： min Fang Lei Tao Wen Wu Qi Wei Yingdong Xia Ping Li Xueqin Ran Qi Zhong Guichuan Xing Lin Song peter müller-Buschbaum Hui Zhang Yonghua Chen Key Laboratory of Flexible Electronics(KLOFE)&Institution of Advanced materials(IAm) Nanjing Tech University(Nanjing Tech)Nanjing 211816JiangsuChina Frontiers Science Center for Flexible Electronics Xi’an Institute of Flexible Electronics(IFE)and Xi’an Institute of Biomedical Materials&EngineeringNorthwestern Polytechnical UniversityXi’an 710072ShaanxiChina Key Laboratory of Advanced Textile materials&manufacturing Technology Ministry of EducationZhejiang Sci-Tech UniversityHangzhou 310018ZhejiangChina Institute of Joint Key Laboratory of the Applied Physics and materials Engineering University of MacaoAvenida da UniversidadeTaipa 999078MacaoChina Lehrstuhl für Funktionelle materialien Physik DepartmentTechnische Universität München.James-Franck-Str.185748 GarchingGermany Heinz maier-Leibnitz Zentrum(mLZ) Technische Universität MünchenLichtenbergstr.185748 GarchingGermany

Solvent residue is inevitable to occur in solution processed thin films,but its influence on the thin film quality has not been identified and addressed to *** acetate(mAAc)ionic liquid has recently been realized as an environmentally friendly solvent for solution processed *** specific high viscosity,low vapor pressure and strong association with perovskite precursor of the mAAc solvent is a double-edged sword,which endowed an advantageously ambient air operational and anti-solvent free perovskite deposition,but the mAAc is likely to be retained within the film and bring in detrimental effects on device performance of the corresponding solar ***,we reported a novel route to eliminate the residual solvent via a facial hydrochloric acid(HCl)annealing post-treatment(HAAP).In particular,chemical displacement reaction between the incorporated HCl and residual mAAc can be initiated to form volatile mACl and HAc,efficiently extracting mAAc *** the meanwhile,the stimulated mass transport via downward penetration and upward escape can trigger secondary perovskite growth with enlarged grain size and smoothened surface,leading to reduced defect state and improved interfacial contact intimacy,and also partial chloride ions are able to enter the crystal lattice to stabilize perovskite phase *** a result,a champion efficiency up to20.78%originating from enhanced Voc was achieved,and more than 96%of its initial efficiency can be maintained after 1000 h shelf-storage.

关键词： Perovskite Solar cells Solvent residue methylammonium acetate Post-treatment Chemical displacement

General Conditions for Online Estimation and Optimization of Reliability Characteristics

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International Journal of Automation and computing 2006年第2期3卷 177-183页

作者： Ilona Pabst peter C. müller RmC Reliability Technology GmbH University of Wuppertal

A novel approach to estimate reliability properties of systems or components individually during operation is presented. It is distinguished between slow and fast reliability states based on an equivalent system representation. Conditions for their observability and control are given and objectives for optimal reliability-based control are discussed in general.

关键词： Online reliability estimation reliability optimization singular systems,

Chiral cation promoted interfacial charge extraction for efficient tin-based perovskite solar cells

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Journal of Energy Chemistry 2022年第5期31卷 789-796页

作者： Weiyin Gao He Dong Nan Sun Lingfeng Chao Wei Hui Qi Wei Hai Li Yingdong Xia Xingyu Gao Guichuan Xing Zhongbin Wu Lin Song peter müller-Buschbaum Chenxin Ran Yonghua Chen Frontiers Science Center for Flexible Electronics Xi’an Institute of Flexible Electronics(IFE)and Xi’an Institute of Biomedical Materials&EngineeringNorthwestern Polytechnical UniversityXi’an 710072ShaanxiChina Key Laboratory of Flexible Electronics(KLOFE)&Institution of Advanced materials(IAm) Nanjing Tech University(NanjingTech)Nanjing 211816JiangsuChina Joint Key Laboratory of the ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacaoMacaoChina Shanghai Synchrotron Radiation Facility(SSRF) Zhangjiang LaboratoryShanghai Advanced Research InstituteChinese Academy of SciencesShanghaiChina Lehrstuhl für Funktionelle materialien Physik DepartmentTechnische Universität München.James-Franck-Str.185748 GarchingGermany Heinz maier-Leibnitz Zentrum(mLZ) Technische Universität MünchenLichtenbergstr.185748 GarchingGermany

Pb-free Sn-based perovskite solar cells(PSCs) have recently made inspiring progress, and power conversion efficiency(PCE) of 14.8% has been achieved. However, due to the energy-level mismatch and poor interfacial contact between commonly used hole transport layer(i.e., poly(3,4-ethylenedioxythio phene):poly(styrene sulfonate), PEDOT:PSS) and FASnI_(3) film, it is still challenging to effectively extract holes at the interface. Owing to the p-type nature of Sn-based perovskites, the efficient hole extraction is of particular significance to improve the PCE of their solar cells. In this work, for the first time, the role of chiral cations, a-methylbenzylamine(S-/R-/rac-mBA), in promoting hole transportation of FASnI_(3)-based PSCs is demonstrated. The introduction of mBAs is found to form 2D/3D film with lowdimensional structures locating at PEDOT:PSS/FASnI_(3) interface, which facilitates the energy level alignment and efficient charge transfer at the interface. Importantly, chiral-induced spin selectivity(CISS)effect of R-mBA_(2)SnI_(4)induced by chiral R-mBA cation is found to further assist the specific interfacial transport of accumulated holes. As a result, R-mBA-based PSCs achieve decent PCE of 10.73% with much suppressed hysteresis and enhanced device stability. This work opens up a new strategy to efficiently promote the interfacial extraction of accumulated charges in working PSCs.

关键词： Tin perovskite Chiral cation 2D/3D structure Interfacial charge extraction Solar cells