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Article ; Online: Structural Distortion in the Wadsley-Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance.

Wu, Zhibin / Liang, Gemeng / Kong Pang, Wei / Zou, Jinshuo / Zhang, Wenchao / Chen, Libao / Ji, Xiaobo / Didier, Christophe / Peterson, Vanessa K / Segre, Carlo U / Johannessen, Bernt / Guo, Zaiping

Angewandte Chemie (International ed. in English)

2024 Volume 63, Issue 9, Page(s) e202317941

Abstract: Wadsley-Roth niobium oxide phases have attracted extensive research interest recently as promising battery anodes. We have synthesized the niobium-molybdenum oxide shear phase (Nb, Mo) ...

Abstract	Wadsley-Roth niobium oxide phases have attracted extensive research interest recently as promising battery anodes. We have synthesized the niobium-molybdenum oxide shear phase (Nb, Mo)
Language	English
Publishing date	2024-01-22
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2011836-3
ISSN	1521-3773 ; 1433-7851
ISSN (online)	1521-3773
ISSN	1433-7851
DOI	10.1002/anie.202317941
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Data-processing technique for the Taipan "Be-filter" neutron spectrometer at the Australian Nuclear Science and Technology Organisation.

Iles, Gail N / Rule, Kirrily C / Peterson, Vanessa K / Stampfl, Anton P J / Elcombe, Margaret M

The Review of scientific instruments

2021 Volume 92, Issue 7, Page(s) 73304

Abstract: There are five filter-analyzer neutron spectrometers available worldwide for scientists to use in order to measure the vibrational density of states in various samples. While Taipan, the thermal spectrometer, has been operated as a triple-axis ... ...

Abstract	There are five filter-analyzer neutron spectrometers available worldwide for scientists to use in order to measure the vibrational density of states in various samples. While Taipan, the thermal spectrometer, has been operated as a triple-axis spectrometer at the Australian Centre for Neutron Scattering since 2010, a beryllium filter analyzer spectrometer was added in 2016. Due to the complex nature of the data post-processing, it has thus far been impossible to fully treat experimental data from scientific measurements taken over the last five years. We have successfully created a robust method of treating data from the Taipan filter-analyzer and present the method on three different samples. The data-treatment process includes correction for the non-linear energy variation of a particular monochromator, removal of higher-order wavelength contamination, and estimation of low-energy multiple-scattering. The steps described here can be utilized by all users of the Australian Nuclear Science and Technology Organisation "Be-filter"-past, present, and future.
Language	English
Publishing date	2021-08-03
Publishing country	United States
Document type	Journal Article
ZDB-ID	209865-9
ISSN	1089-7623 ; 0034-6748
ISSN (online)	1089-7623
ISSN	0034-6748
DOI	10.1063/5.0054786
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Functional materials analysis using in situ and in operando X-ray and neutron scattering.

Peterson, Vanessa K / Papadakis, Christine M

IUCrJ

2015 Volume 2, Issue Pt 2, Page(s) 292–304

Abstract: In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering ...

Abstract	In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering and analysis. Examples are given covering a number of important materials areas, alongside a description of the types of information that can be obtained and the experimental setups used to acquire them.
Language	English
Publishing date	2015-02-03
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	2754953-7
ISSN	2052-2525
ISSN	2052-2525
DOI	10.1107/S2052252514026062
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Developing high-voltage spinel LiNi₀.₅Mn₁.₅O₄ cathodes for high-energy-density lithium-ion batteries: current achievements and future prospects

Liang, Gemeng / Peterson, Vanessa K / See, Khay Wai / Guo, Zaiping / Pang, Wei Kong

Journal of materials chemistry A. 2020 Aug. 11, v. 8, no. 31

2020

Abstract: High-voltage spinel LiNi₀.₅Mn₁.₅O₄ (LNMO) is a promising cathode for the next-generation high-performance lithium-ion batteries (LIBs) due to its high energy density (650 W h kg⁻¹), high operating voltage (∼4.7 V vs. Li), low fabrication cost, and low ... ...

Abstract	High-voltage spinel LiNi₀.₅Mn₁.₅O₄ (LNMO) is a promising cathode for the next-generation high-performance lithium-ion batteries (LIBs) due to its high energy density (650 W h kg⁻¹), high operating voltage (∼4.7 V vs. Li), low fabrication cost, and low environmental impact. However, the short cycle life of LNMO caused by rapid capacity decay during cycling limits its wide application and commercialization. Intense research effort to improve the electrochemical performance of LNMO has been moderately successful. Accordingly, it is absolutely necessary to revisit and summarize the up-to-date findings and deeper understanding of how to modify LNMO. In this review, the crystallographic structure and electrochemical properties of LNMO spinel, as well as its existing issues and corresponding solutions, are discussed in detail. In addition, the current accomplishments relating to LNMO application in full-cell configurations are also discussed. Finally, some insight into the future prospects for LNMO cathode developments is provided.
Keywords	cathodes ; commercialization ; electric potential difference ; electrochemistry ; energy density ; environmental impact ; lithium batteries
Language	English
Dates of publication	2020-0811
Size	p. 15373-15398.
Publishing place	The Royal Society of Chemistry
Document type	Article
ZDB-ID	2702232-8
ISSN	2050-7496 ; 2050-7488
ISSN (online)	2050-7496
ISSN	2050-7488
DOI	10.1039/d0ta02812f
Database	NAL-Catalogue (AGRICOLA)

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Article: Real-time powder diffraction studies of energy materials under non-equilibrium conditions.

Peterson, Vanessa K / Auckett, Josie E / Pang, Wei-Kong

IUCrJ

2017 Volume 4, Issue Pt 5, Page(s) 540–554

Abstract: Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions ...

Abstract	Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage of energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function.
Language	English
Publishing date	2017-09-01
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	2754953-7
ISSN	2052-2525
ISSN	2052-2525
DOI	10.1107/S2052252517010363
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: (Mg,Mn,Fe,Co,Ni)O: A rocksalt high-entropy oxide containing divalent Mn and Fe.

Pu, Yuguang / Moseley, Duncan / He, Zhen / Pitike, Krishna Chaitanya / Manley, Michael E / Yan, Jiaqiang / Cooper, Valentino R / Mitchell, Valerie / Peterson, Vanessa K / Johannessen, Bernt / Hermann, Raphael P / Cao, Peng

Science advances

2023 Volume 9, Issue 38, Page(s) eadi8809

Abstract: High-entropy oxides (HEOs) have aroused growing interest due to fundamental questions relating to their structure formation, phase stability, and the interplay between configurational disorder and physical and chemical properties. Introducing Fe(II) and ... ...

Abstract	High-entropy oxides (HEOs) have aroused growing interest due to fundamental questions relating to their structure formation, phase stability, and the interplay between configurational disorder and physical and chemical properties. Introducing Fe(II) and Mn(II) into a rocksalt HEO is considered challenging, as theoretical analysis suggests that they are unstable in this structure under ambient conditions. Here, we develop a bottom-up method for synthesizing Mn- and Fe-containing rocksalt HEO (FeO-HEO). We present a comprehensive investigation of its crystal structure and the random cation-site occupancy. We show the improved structural robustness of this FeO-HEO and verify the viability of an oxygen sublattice as a buffer layer. Compositional analysis reveals the valence and spin state of the iron species. We further report the antiferromagnetic order of this FeO-HEO below the transition temperature ~218 K and predict the conditions of phase stability of Mn- and Fe-containing HEOs. Our results provide fresh insights into the design and property tailoring of emerging classes of HEOs.
Language	English
Publishing date	2023-09-20
Publishing country	United States
Document type	Journal Article
ZDB-ID	2810933-8
ISSN	2375-2548 ; 2375-2548
ISSN (online)	2375-2548
ISSN	2375-2548
DOI	10.1126/sciadv.adi8809
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: In situ neutron diffraction observations of Ti-TiB composites

Singh, Harshpreet / Cao, Peng / Das, Raj / Hayat, Muhammad / He, Zhen / Peterson, Vanessa K

Composites. 2019 Sept., v. 124

2019

Abstract: This paper characterizes and evaluates TiB/Ti composites during thermal treatment using in situ neutron diffraction. The composites were developed using a conventional press and sinter technique. Pure titanium (Ti) was chosen as the matrix, and different ...

Abstract	This paper characterizes and evaluates TiB/Ti composites during thermal treatment using in situ neutron diffraction. The composites were developed using a conventional press and sinter technique. Pure titanium (Ti) was chosen as the matrix, and different concentrations of TiB2 were used as the boron source for the in situ development of the TiB phase. The conversion of phases from TiB2 (2–10 wt.%) to TiB during heating and cooling in the Ti matrix was studied for the first time using in situ neutron diffraction. No metastable phases were observed during heat-treating of the samples. Microstructural evolution and tensile properties of these composites were also evaluated with the highest tensile strength recorded of 684.95 MPa for the sample containing 5 wt.% TiB2.
Keywords	boron ; composite materials ; cooling ; heat ; heat treatment ; microstructure ; neutron diffraction ; tensile strength ; titanium
Language	English
Dates of publication	2019-09
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	2012223-8
ISSN	1359-835X
ISSN	1359-835X
DOI	10.1016/j.compositesa.2019.105501
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover.

Ahmed, Manan / Brand, Helen E A / Peterson, Vanessa K / Clegg, Jack K / Kepert, Cameron J / Price, Jason R / Powell, Benjamin J / Neville, Suzanne M

Dalton transactions (Cambridge, England : 2003)

2021 Volume 50, Issue 4, Page(s) 1434–1442

Abstract: An extended nitro-functionalised 1,2,4-triazole ligand has been used to induce considerable lattice distortion in a 2-D Hofmann framework material via competing supramolecular interactions. Single crystal X-ray diffraction analyses on [Fe3(N-cintrz)6(Pd( ... ...

Abstract	An extended nitro-functionalised 1,2,4-triazole ligand has been used to induce considerable lattice distortion in a 2-D Hofmann framework material via competing supramolecular interactions. Single crystal X-ray diffraction analyses on [Fe3(N-cintrz)6(Pd(CN)4)3]·6H2O (N-cintrz: (E)-3-(2-nitrophenyl)acrylaldehyde) reveal a substantial deviation from a regular Hofmann structure, in particular as the intra- and inter-layer contacts are dominated by hydrogen-bonding interactions rather than the typical π-stacking arrays. Also, the 2-D Hofmann layers show an assortment of ligand conformations and local FeII coordination environments driven by the optimisation of competing supramolecular contacts. Temperature-dependent magnetic susceptibility measurements reveal a two-step spin crossover (SCO) transition. Variable temperature structural analyses show that the two crystallographically distinct FeII centres, which are arranged in stripes (2 : 1 ratio) within each Hofmann layer, undergo a cooperative HS ↔ HS/LS ↔ LS (HS = high spin, LS = low spin) transition without periodic spin-state ordering. The mismatch between crystallographic (2 : 1) and spin-state (1 : 1) periodicity at the HS : LS step provides key insight into the competition (frustration) between elastic interactions and crystallographically driven order.
Language	English
Publishing date	2021-01-13
Publishing country	England
Document type	Journal Article
ZDB-ID	1472887-4
ISSN	1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
ISSN (online)	1477-9234 ; 1364-5447
ISSN	0300-9246 ; 1477-9226
DOI	10.1039/d0dt04007j
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Elucidation of the high-voltage phase in the layered sodium ion battery cathode material P3–Na₀.₅Ni₀.₂₅Mn₀.₇₅O₂

Liu, Jiatu / Didier, Christophe / Sale, Matthew / Sharma, Neeraj / Guo, Zaiping / Peterson, Vanessa K / Ling, Chris D

Journal of materials chemistry A. 2020 Oct. 21, v. 8, no. 40

2020

Abstract: The P3-type layered oxide Na₀.₅Ni₀.₂₅Mn₀.₇₅O₂ is a promising manganese-rich positive electrode (cathode) material for sodium ion batteries, with a high working voltage of 4.2–2.5 V vs. Na⁺/Na and a high capacity of over 130 mA h g⁻¹ when cycled at 10 mA ... ...

Abstract	The P3-type layered oxide Na₀.₅Ni₀.₂₅Mn₀.₇₅O₂ is a promising manganese-rich positive electrode (cathode) material for sodium ion batteries, with a high working voltage of 4.2–2.5 V vs. Na⁺/Na and a high capacity of over 130 mA h g⁻¹ when cycled at 10 mA g⁻¹. However, its structural evolution during battery cycling – specifically, the nature of the high-voltage phase above 4 V – has never been fully understood, which has hindered efforts to rationally modify and improve its performance. In this work we use in situ neutron diffraction to show that the phase above 4 V is a modification of the intermediate O3 phase from which all sodium has been removed, and which consequently has a dramatically shorter interlayer distance. We label this fully Na-depleted phase O3s, such that the phase evolution with increasing voltage is P3 → O3 → O3s. Having elucidated its structure, we used first-principles calculations of the electronic structure as a function of sodium content to show that reversible oxygen redox plays a key role in the electrochemical activity of this O3s phase above 4 V. We also calculated the energies of oxygen/transition metal vacancies and found that the O3s phase should be relatively stable against their formation. The results will guide future research aimed at understanding and stabilizing the O3s phase, in order to improve the performance and cycling stability of this material in sodium ion batteries.
Keywords	batteries ; cathodes ; electric potential difference ; electrochemistry ; neutron diffraction ; oxygen ; sodium
Language	English
Dates of publication	2020-1021
Size	p. 21151-21162.
Publishing place	The Royal Society of Chemistry
Document type	Article
Note	NAL-AP-2-clean
ZDB-ID	2702232-8
ISSN	2050-7496 ; 2050-7488
ISSN (online)	2050-7496
ISSN	2050-7488
DOI	10.1039/d0ta06600a
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Understanding Rechargeable Battery Function Using In Operando Neutron Powder Diffraction.

Liang, Gemeng / Didier, Christophe / Guo, Zaiping / Pang, Wei Kong / Peterson, Vanessa K

Advanced materials (Deerfield Beach, Fla.)

2019 Volume 32, Issue 18, Page(s) e1904528

Abstract: The performance of rechargeable batteries is influenced by the structural and phase changes of components during cycling. Neutron powder diffraction (NPD) provides unique and useful information concerning the structure-function relation of battery ... ...

Abstract	The performance of rechargeable batteries is influenced by the structural and phase changes of components during cycling. Neutron powder diffraction (NPD) provides unique and useful information concerning the structure-function relation of battery components and can be used to study the changes to component phase and structure during battery cycling, known as in operando measurement studies. The development and use of NPD for in operando measurements of batteries is summarized along with detailed experimental approaches that impact the insights gained by these. A summary of the information gained concerning battery function using in operando NPD measurements is provided, including the structural and phase evolution of electrode materials and charge-carrying ion diffusion pathways through these, which are critical to the development of battery technology.
Language	English
Publishing date	2019-09-23
Publishing country	Germany
Document type	Journal Article ; Review
ZDB-ID	1474949-X
ISSN	1521-4095 ; 0935-9648
ISSN (online)	1521-4095
ISSN	0935-9648
DOI	10.1002/adma.201904528
Database	MEDical Literature Analysis and Retrieval System OnLINE

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