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β-Nickel hydroxide cathode material for nano-suspension redox flow batteries

Frontiers in energy 2017年第3期11卷 401-409页

作者： Yue LI Cheng HE Javier PARRONDO Vijay RAMANI Elena V. TIMOFEEVA Yujia DING Carlo SEGRE Center for Solar energy and energy Storage Department of Energy Environmental and Chemical Engineering Washington University in St. Louis 1 Brookings Dr. St. Louis MO 63130 USA Physics department Illinois Institute of Technology Chicago IL 60616 USA

As part of an effort to build a prototype flow battery system using a nano-suspension containing β-Ni（OH）2 nanoparticles as the cathode material, nano-sized β-Ni（OH）2 particles with well-controlled particle size and morphology were synthesized via the one-step precipitation of a NiCl2 precursor. The composition and morphology of the nanoparticles were characterized by scanning electronic microscopy （SEM） and X-ray diffraction （XRD）. The XRD patterns confirmed that β-Ni（OH）2 was successfully synthesized, while SEM results showed that the particle sizes range from 70 to 150 nm. To ensure that Ni（OH）2 could be employed in the nano-suspension flow battery, the electrochemical performance of the synthesized 13-Ni（OH）2 was initially tested in pouch cells through charge/discharge cycling. The phase transformations occurring during charge/discharge were investigated using in-situ X-ray absorption spectroscopy to obtain the shift in the oxidation state of Ni （X-ray adsorption near edge structure, XANES） and the distances between Ni and surrounding atoms in charged and discharged states （extended X-ray absorption fine structure, EXAFS）. XANES results indicated that the electrode in the discharged state was a mixture of phases because the edge position did not shift back completely. XAFS results further proved that the discharge capacity was provided by β-NiOOH and the ratio between β-Ni（OH）2 and γ-NiOOH in the electrode in the discharged state was 71：29. Preliminary nano-suspension tests in a lab-scale cell were conducted to understand the behavior of the nano-suspension during charge/discharge cycling and to optimize the operating conditions.

关键词： nano-suspension flow battery β-Ni(OH)2,scanning electronic microscopy (SEM) X-ray diffraction(XRD) X-ray adsorption near edge structure (XANES),extended X-ray absorption fine structure (EXAFS)

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External stimuli controlled multiferroic charge-transfer crystals

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Nano Research 2016年第4期9卷 925-932页

作者： Wei Qin Xiaomin Chen Jessica Lohrman Maogang Gong Guoliang Yuan Manfred Wuttig Shenqiang Ren department of Mechanical Engineering Temple University Philadelphia Pennsylvania 19122 USA department of Matefials Science and Engineering University of Maryland College Park Maryland 20742 USA School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China department of Chemistry University of Kansas Lawrence Kansas 66045 USA

Multiferroic charge-transfer crystals have drawn significant interest due to their simultaneous dipolar and spin ordering. Numerous theoretical and experimental studies have shown that the molecular stacking between donor and acceptor complexes plays an important role in tuning charge-transfer enabled multifunctionality. Herein, we show that the charge-transfer interactions can be controlled by the segregated stack, consisting of polythiophene donor- and fuUerene acceptor-based all-conjugated block copolymers. Room temperature magnetic field effects, ferroelectricity, and anisotropic magnetism are observed in charge-transfer crystals, which can be further controlled by photoexcitation and charge doping. Furthermore, the charge-transfer segregated stack crystals demonstrate external stimuli controlled polarization and magnetization, which opens up their multifunctional applications for all-organic multiferroics.

关键词： organic multiferroics charge-transfer room temperature block copolymer

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Evaluate the impact of sensor accuracy on model performance in data-driven building fault detection and diagnostics using Monte Carlo simulation

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Building Simulation 2022年第5期15卷 769-778页

作者： Liang Zhang Matt Leach National Renewable energy Laboratory 15013 Denver W PkwyGoldenCOUSA

The performance of data-driven fault detection and diagnostics(FDD)is heavily dependent on ***,sensor inaccuracy and sensor faults are pervasive in building operation:inaccurate and missing sensor readings deteriorate FDD performance;sensor inaccuracy will also affect the selection of sensor for data-driven FDD in the model training process,which is another key factor of data-driven FDD *** accuracy and sensor selection individually are well-studied research topics in this field,but the impact of sensor accuracy on sensor selection and its further impact on FDD performance has not been evaluated and *** this paper,we developed a novel analysis methodology that comprehensively evaluates sensor fault on sensor selection and FDD *** Carlo simulation is applied to deal with multiple stochastic sensor inaccuracy and provide probabilistic analysis results of the impact of sensor inaccuracy on sensor selection and FDD *** methodology focuses on the net impact of fault states across a full sensor *** developed methodology can be used for the early-stage sensor design and operation-stage sensor maintenance.A case study is conducted to demonstrate the analysis methodology using a commercial building model crated to Flexible Research Platform located at Oak Ridge National Laboratory,USA.

关键词： fault detection and diagnostics sensor accuracy sensor fault sensor selection data-driven modeling Monte Carlo simulation

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Uniformly dispersed FeOx atomic clusters by pulsed arc plasma deposition： An efficient electrocatalyst for improving the performance of Li-O2 battery

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Nano Research 2016年第7期9卷 1913-1920页

作者： Xiangyi Luo Jun Lu Evan Sohm Lu Ma Tianpin Wu Jianguo Wen Dantong Qiu YunKai Xu Yang Ren Dean J. Miller Khalil Amine Material Sciences Division Argonne National Laboratory Argonne IL 60439 USA Chemical Sciences and Engineering Division Argonne National Laboratory Argonne IL 60439 USA ULVAC Technologies Inc. Methuen MA 01844 USA Center for N anoscale Materials Nanoscience and Technology Argonne National Laboratory Argonne IL 60439 USA Advanced Photon Source Argonne National Laboratory Argonne IL 60439 USA Center for Nanoscale Materials Nanoscience and Technology Argonne Notional Laboratory Argonne IL 60439 USA

The present study explored a new method to improve the catalytic activity of non-precious metals, especially in electrochemical reactions. Highly ionized Fe plasma produced by arc discharge was uniformly deposited on a porous carbon substrate and formed atomic clusters on the carbon surface. The as-prepared FeO~/C material was tested as a cathode material in a rechargeable Li-02 battery under different current rates. The results showed significant improvement in battery performance in terms of both cycle life and reaction rate. Furthermore, X-ray diffraction （XRD） and scanning electron microscopy （SEM） results showed that the as-prepared cathode material stabilized the cathode and reduced side reactions and that the current rate was a critical factor in the nucleation of the discharge products.

关键词： Li-O2 battery FeOx atomic cluster electrocatalyst pulsed arc plasmadeposition (APD)

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Challenges and opportunities of machine learning control in building operations

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Building Simulation 2023年第6期16卷 831-852页

作者： Liang Zhang Zhelun Chen Xiangyu Zhang Amanda Pertzborn Xin Jin The University of Arizona 1209 E 2nd StTucsonAZUSA Drexel University 3141 Chestnut StPhiladelphiaPAUSA National Renewable energy Laboratory 15013 Denver W PkwyGoldenCOUSA National Institute of Standards and Technology 100 Bureau DrGaithersburgMDUSA

Machine learning control(MLC)is a highly flexible and adaptable method that enables the design,modeling,tuning,and maintenance of building controllers to be more accurate,automated,flexible,and *** research topic of MLC in building energy systems is developing rapidly,but to our knowledge,no review has been published that specifically and systematically focuses on MLC for building energy *** paper provides a systematic review of MLC in building energy *** review technical papers in two major categories of applications of machine learning in building control:(1)building system and component modeling for control,and(2)control process *** identify MLC topics that have been well-studied and those that need further research in the field of building operation *** also identify the gaps between the present and future application of MLC and predict future trends and opportunities.

关键词： machine learning building operation control building energy system reinforcement learning

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Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems

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Nano Research 2016年第9期9卷 2598-2605页

作者： Antonio Politano Miriam Serena Vitiello Leonardo Viti Jin Hu Zhiqiang Mao Jiang Wei Gennaro Chiarello department of Physics University of Calabriavia ponte Bucci31/C87036 Rende(CS)Italy NEST Istituto Nanoscienze-CNR and Scuola Normale Superiore Piazza San Silvestro 12Pisa 1-56127Italy department of Physics and Engineering Physics Tulane UniversityNew OrleansLA 70118USA

By means of vibrational spectroscopy and density functional theory (DFT), we investigate CO adsorption on phosphorene-based systems. We find stable CO adsorption at room temperature on both phosphorene and bulk black phosphorus. The adsorption energy and vibrational spectrum are calculated for several possible configurations of the CO overlayer. We find that the vibrational spectrum is characterized by two different C–O stretching energies. The experimental data are in good agreement with the prediction of the DFT model and reveal the unusual C–O vibrational band at 165–180 meV, activated by the lateral interactions in the CO overlayer. [Figure not available: see fulltext.] © 2016, Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

关键词： phosphorene vibrational spectroscopy density functional theory carbon monoxide

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Manufacturing Water-Based Low-Tortuosity Electrodes for Fast-Charge through Pattern Integrated Stamping

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energy & Environmental Materials 2023年第4期6卷 121-128页

作者： Haoze Ren Ying Wang Daxian Cao William Gedney Tongtai Ji Xiao Sun Hongli Zhu department of Mechanical and Industrial Engineering Northeastern UniversityBoston MA 02115USA

Achieving high energy density and fast charging of lithium-ion batteries can accelerate the promotion of electric ***,the increased mass loading causes poor charge transfer,impedes the electrochemical reaction kinetics,and limits the battery charging ***,this work demonstrated a novel pattern integrated stamping process for creating channels in the electrode,which benefits ion transport and increases the rate performance of the ***,the pressure applied during the stamping process improved the contact between electrode and current collector and also enhanced the mechanical stability of the *** to the conventional bar-coated electrode with the same thickness of 155μm(delivered a discharge capacity of 16 mAh g^(−1) at the rate of 3 C),the stamped low-tortuosity LiFePO_(4) electrode delivered 101 mAh g^(−1) ***,water was employed as a solvent in this *** to its eco-friendliness,high scalability,and minimal waste generation,this novel stamping technique inspire a new method for the industrial-level efficient roll to roll fabrication of fast-charge electrodes.

关键词： fast charging kinetic lithium-ion batteries tortuosity water solvent

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Unveiling the parasitic-reaction-driven surface reconstruction in Ni-rich cathode and the electrochemical role of Li_(2)CO_(3)

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Journal of energy Chemistry 2023年第10期85卷 126-136,I0006页

作者： Jiyu Cai Zhenzhen Yang Xinwei Zhou Bingning Wang Ana Suzana Jianming Bai Chen Liao Yuzi Liu Yanbin Chen Shunlin Song Xuequan Zhang Li Wang Xiangming He Xiangbo Meng Niloofar Karami Baasit Ali Shaik Sulaiman Natasha A.Chernova Shailesh Upreti Brad Prevel Feng Wang Zonghai Chen Chemical Sciences and Engineering Division Argonne National Laboratory9700 South Cass AvenueLemontIL 60439USA Center for Nanoscale Materials Argonne National Laboratory9700 South Cass AvenueLemontIL 60439USA Condensed Matter Physics and Materials Science department Brookhaven National LaboratoryUptonNY 11973USA energy and Photon Sciences Directorate Brookhaven National LaboratoryUptonNY 11973USA Beijing Easprint Material Technology Co.Ltd. Beijing 100160China Institute of Nuclear and New energy Technology Tsinghua UniversityBeijing 100084China department of Mechanical Engineering University of ArkansasFayettevilleAR 72701USA Charge CCCV(C4V) 45 Murray Hill RoadCenter of ExcellenceBinghamton UniversityVestalNY 13850USA Primet Precision Materials 950 Danby RoadIthacaNY 14850USA Applied Materials Division Argonne National Labo

Nickel-rich transition-metal oxides are widely regarded as promising cathode materials for high-energydensity lithium-ion batteries for emerging electric vehicles. However, achieving high energy density in Ni-rich cathodes is accompanied by substantial safety and cycle-life obstacles. The major issues of Ni-rich cathodes at high working potentials are originated from the unstable cathode-electrolyte interface, while the underlying mechanism of parasitic reactions towards surface reconstructions of cathode materials is not well understood. In this work, we controlled the Li_(2)CO_(3) impurity content on LiNi_(0.83)Mn_(0.1)Co_(0.07)O_(2) cathodes using air, tank-air, and O_(2) synthesis environments. Home-built high-precision leakage current and on-line electrochemical mass spectroscopy experiments verify that Li_(2)CO_(3) impurity is a significant promoter of parasitic reactions on Ni-rich cathodes. The rate of parasitic reactions is strongly correlated to Li_(2)CO_(3) content and severe performance deterioration of Ni83 *** post-mortem characterizations via high-resolution transition electron microscope and X-ray photoelectron spectroscopy depth profiles reveal that parasitic reactions promote more Ni reduction and O deficiency and even rock-salt phase transformation at the surface of cathode materials. Our observation suggests that surface reconstructions have a strong affiliation to parasitic reactions that create chemically acidic environment to etch away the lattice oxygen and offer the electrical charge to reduce the valence state of transition metal. Thus, this study advances our understanding on surface reconstructions of Nirich cathodes and prepares us for searching for rational strategies.

关键词： Ni-rich cathodes Surface reconstructions Phase transformation Parasitic reactions Li_(2)CO_(3)

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Semiclassical dynamics and nonlinear charge current

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Frontiers of physics 2019年第3期14卷 25-46页

作者： Yang Gao department of Physics Carnegie Mellon University Pittsburgh PA 15213 USA

Electron conductivity is an important material property that can provide a wealth of information about the underlying system. Especially, the response of the conductivity with respect to electromagnetic fields corresponds to various nonlinear charge currents, which have distinct symmetry requirements and hence can be used as efficient probes of different systems. To help the band-structure engineering of such nonlinear currents, a universal treatment of electron dynamics up to second order expressed in the basis of the unperturbed states are highly useful. In this work, we review the general semiclassical framework of the nonlinear charge currents.

关键词： nonlinear charge current nonlinear electron dynamics nonlinear anomalous Hall effect linear magne toresis tance negative longitudinal magne to resistance Berry curvature quantum metric positional shift

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Temperature dependence of pyro-phototronic effect on self-powered ZnO/perovskite heterostructured photodetectors

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Nano Research 2016年第12期9卷 3695-3704页

作者： Wenbo Peng Ruomeng Yu Xingfu Wang Zhaona Wang Haiyang Zou Yongning He Zhong Lin Wang School of Materials Science and Engineering Georgia Institute of Technology Atlanta Georgia 30332-0245 USA School of Electronic and Information Engineering Xi'an Jiaotong University Xi'an 710049 China Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of Sciences Beijing 100083 China

Self-powered ZnO/perovskite heterostructured ultraviolet （UV） photodetectors （PDs） based on the pyro-phototronic effect have been recently reported as a promising solution for energy-efficient, ultrafast-response, and high-performance UV PDs. In this study, the temperature dependence of the pyro-phototronic effect on the photo-sensing performance of self-powered ZnO/perovskite heterostructured PDs was investigated. The current responses of these PDs to UV light were enhanced by 174.1% at 77 K and 28.7% at 300 K owing to the improved pyro-phototronic effect at low temperatures. The fundamentals of the pyro-phototronic effect were thoroughly studied by analyzing the charge- transfer process and the time constant of the current response of the PDs upon UV illumination. This work presents in-depth understandings about the pyro- phototronic effect on the ZnO/perovskite heterostructure and provides guidance for the design and development of corresponding optoelectronics for ultrafast photo sensing, optothermal detection, and biocompatible optoelectronic probes.

关键词： self-powered ZnO perovskite pyro-phototronic effect temperature dependence

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