Understanding the Mechanism of Secondary Cation Release from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2: Insights from First-Principles

Article Chemistry, Physical

Direct recovery: A sustainable recycling technology for spent lithium-ion battery

Jiawei Wu et al.

Summary: This review summarizes the steps and strategies for recycling spent lithium-ion batteries (LIBs) and discusses the impact of degradation mechanisms of electrode materials on the selection of regeneration strategies.

ENERGY STORAGE MATERIALS (2023)

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Article Chemistry, Physical

Evaluation of Neel Temperatures from Fully Self-Consistent Broken-Symmetry GW and High-Temperature Expansion: Application to Cubic Transition-Metal Oxides

Pavel Pokhilko et al.

Summary: Using fully self-consistent thermal-broken symmetry GW, effective magnetic Heisenberg Hamiltonians are constructed for a series of transition metal oxides (NiO, CoO, FeO, and MnO), accurately describing their magnetic states. By applying high-temperature expansion, the decomposition coefficients for spin susceptibility and specific heat are obtained. The Néel temperatures are determined by the radius of convergence of the series, and the agreement between the derived Néel temperatures and experimental results is good for NiO, CoO, and FeO, but less accurate for MnO, which may suggest additional effects not accounted for by electronic structure calculations.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)

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Article Chemistry, Analytical

Separation of Metal and Cathode Materials from Waste Lithium Iron Phosphate Battery by Electrostatic Process

Huabing Zhu et al.

Summary: In this study, a waste lithium iron phosphate battery was used as a raw material, and the cathode and metal materials in the battery were separated and recovered by mechanical crushing and electrostatic separation technology. The research found that the particle size of the material has the greatest impact on the separation effect, which mainly occurs in the range of 0.2-2.0 mm particle sizes. Under specific conditions, the recovery rates for aluminum, copper, and lithium iron phosphate reached high percentages of 93.2%, 91.1%, and 97.1% respectively. The use of electrostatic separation technology instead of high-temperature roasting or chemical leaching can effectively improve the separation efficiency and reduce secondary pollution in the recovery process for waste lithium batteries.

SEPARATIONS (2023)

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Article Chemistry, Multidisciplinary

A Redox Couple Strategy Enables Long-Cycling Li- and Mn-Rich Layered Oxide Cathodes by Suppressing Oxygen Release

Qinong Shao et al.

Summary: Introducing an additional redox couple in Li- and Mn-rich layered oxides cathode significantly enhances cycling stability and inhibits oxygen release, with S2- ions playing a crucial role in stabilizing the oxygen lattice. The findings suggest a potential direction to improve the cycling stability of high-energy anion-redox cathode materials for rechargeable metal-ion batteries.

ADVANCED MATERIALS (2022)

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Article Engineering, Environmental

Simple, green organic acid-based hydrometallurgy for waste-to-energy storage devices: Recovery of NiMnCoC2O4 as an electrode material for pseudocapacitor from spent LiNiMnCoO2 batteries

Jong-Won Choi et al.

Summary: This study proposes a simple and green approach to recover NiMnCoC2O4 from spent LiNiMnCoO2 (NMC) batteries as an electrode material for high-performance pseudocapacitors. The recovery process involves leaching and separation steps, achieving high efficiency and stability for energy storage applications.

JOURNAL OF HAZARDOUS MATERIALS (2022)

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Review Engineering, Environmental

Recent progress in sustainable recycling of LiFePO4-type lithium-ion batteries: Strategies for highly selective lithium recovery

Jai Kumar et al.

Summary: This article discusses the recycling of spent LiFePO4 batteries, comparing the current selective recovery process to traditional methods. It explores the structure of LiFePO4 and lithium recovery routes, as well as effective separation procedures and advancements. The challenges and future aspects of recycling LiFePO4 cathode materials are also examined.

CHEMICAL ENGINEERING JOURNAL (2022)

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Article Environmental Sciences

The impact of temperature on lithium toxicity in the gastropod Tritia neritea

Belen Marin Rodriguez et al.

Summary: This study evaluated the influence of temperature on lithium toxicity and found that temperature enhances the toxic effects of lithium on gastropods, possibly due to increased sensitivity under warming conditions. In addition, lithium contamination affects the metabolic capacity of gastropods, potentially limiting their defense mechanisms. These findings highlight the threats posed by lithium to intertidal marine gastropods and its potential impacts on the entire community.

ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH (2022)

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Article Electrochemistry

High Temperature Testing of NMC/Graphite Cells for Rapid Cell Performance Screening and Studies of Electrolyte Degradation

T. Taskovic et al.

Summary: This article investigates the charge-discharge cycling of LiNi0.5Mn0.3Co0.2O2/graphite cells with two different electrolytes at 70 degrees C. The results show that the degradation processes observed at 40 degrees C and 55 degrees C also occur at an accelerated rate at 70 degrees C. The dissolution of transition metals from the positive electrode is tracked using X-ray fluorescence studies. Elevated temperature testing at 70 degrees C is found to be a viable rapid screening technique for advanced electrolytes and advanced electrode materials.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2022)

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Article Chemistry, Multidisciplinary

Metal Release Mechanism and Electrochemical Properties of Lix(Ni1/3Mn1/3Co1/3)O2

Blake G. Hudson et al.

Summary: In this study, the effect of lithium content on metal release trends in Li-x(Ni1/3Mn1/3Co1/3)O-2 (NMC) was investigated computationally and a machine learning model was developed to predict voltage values.

APPLIED SCIENCES-BASEL (2022)

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Article Chemistry, Physical

Surface transformation thermodynamics of alkaline earth carbonates using first-principles calculations

Ryan T. Grimes et al.

Summary: Alkaline Earth carbonates play important roles in both industry and the environment. Understanding the atomistic response of carbonates to changes in their chemical environment is crucial for controlling natural processes and industrial applications.

SURFACE SCIENCE (2022)

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Article Environmental Sciences

Environmental impact assessment of second life and recycling for LiFePO4 power batteries in China

Yixuan Wang et al.

Summary: This study conducts a bottom-up life cycle assessment of lithium iron phosphate (LFP) batteries to evaluate the environmental impact of different terminal disposal paths. The results show that the secondary application of retired LFP batteries can effectively reduce the environmental impact, especially for fossil fuel depletion. Additionally, recycling LFP batteries can save metal resources, while recycling lithium nickel manganese cobalt oxide (NCM) batteries has greater environmental benefits.

JOURNAL OF ENVIRONMENTAL MANAGEMENT (2022)

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Article Nanoscience & Nanotechnology

Online Monitoring of Transition-Metal Dissolution from a High-Ni-Content Cathode Material

Susanne J. Wachs et al.

Summary: The dissolution and deposition of transition metals from cathode materials impede the increase of cell voltage in lithium-ion batteries, contributing to capacity loss. By coupling an electroanalytical flow cell with inductively coupled plasma mass spectrometry, this study successfully demonstrated a fast performance assessment of new cathode materials and provided insights into the underlying mechanisms of the processes.

ACS APPLIED MATERIALS & INTERFACES (2021)

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Article Electrochemistry

Transition Metal Dissolution and Degradation in NMC811-Graphite Electrochemical Cells

Zachary Ruff et al.

Summary: The study found that under stressed conditions, there are additional degradation mechanisms in the nickel-rich lithium nickel-manganese-cobalt oxide cathode materials, leading to transition metal dissolution and subsequent deposition on the graphite anode. Additionally, significant deposits of metals were detected on the cell casings and current collectors, highlighting the importance of controlling transition metal dissolution and deposition.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2021)

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Review Chemistry, Physical

A Perspective on the Sustainability of Cathode Materials used in Lithium-Ion Batteries

Beth E. Murdock et al.

Summary: The rise of electric vehicles has highlighted the importance of lithium-ion batteries as a vital green technology, but the large-scale mining for battery materials raises concerns regarding resource depletion and environmental, social, and governance issues. Insufficient research has been conducted on the socioenvironmental impacts of lithium-ion battery technology in the past, and the potential implications of increased nickel use in material management and development disciplines also lack attention.

ADVANCED ENERGY MATERIALS (2021)

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Article Environmental Sciences

Copper stress in flooded soil: Impact on enzyme activities, microbial community composition and diversity in the rhizosphere of Salix integra

Yini Cao et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2020)

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Article Chemistry, Physical

DFT and thermodynamics calculations of surface cation release in LiCoO2

Ali Abbaspour-Tamijani et al.

APPLIED SURFACE SCIENCE (2020)

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Review Chemistry, Physical

Layered Cathode Materials for Lithium-lon Batteries: Review of Computational Studies on LiNi1-x-yCoxMnyO2 and LiNi1-x-yCoxAlyO2

Arup Chakraborty et al.

CHEMISTRY OF MATERIALS (2020)

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Article Agriculture, Multidisciplinary

Metalloid and Metal Oxide Nanoparticles Suppress Sudden Death Syndrome of Soybean

Cristian D. P. Perez et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2020)

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Article Nanoscience & Nanotechnology

Advanced material modulation of nutritional and phytohormone status alleviates damage from soybean sudden death syndrome

Chuanxin Ma et al.

NATURE NANOTECHNOLOGY (2020)

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Article Chemistry, Physical

Monte Carlo- and Simulated-Annealing-Based Funneled Approach for the Prediction of Cation Ordering in Mixed Transition-Metal Oxide Materials

Sooraj Kunnikuruvan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

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Article Chemistry, Multidisciplinary

Emerging investigator series: first-principles and thermodynamics comparison of compositionally-tuned delafossites: cation release from the (001) surface of complex metal oxides

Joseph W. Bennett et al.

ENVIRONMENTAL SCIENCE-NANO (2020)

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Article Electrochemistry

Revisiting the Mechanism Behind Transition-Metal Dissolution from Delithiated LiNixMnyCozO2 (NMC) Cathodes

Ritu Sahore et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2020)

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Article Chemistry, Multidisciplinary

Nickel enrichment of next-generation NMC nanomaterials alters material stability, causing unexpected dissolution behavior and observed toxicity to S. oneidensis MR-1 and D. magna

Joseph T. T. Buchman et al.

ENVIRONMENTAL SCIENCE-NANO (2020)

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Article Engineering, Environmental

Next-Generation Complex Metal Oxide Nanomaterials Negatively Impact Growth and Development in the Benthic Invertebrate Chironomus riparius upon Settling

Nicholas J. Niemuth et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2019)

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Review Green & Sustainable Science & Technology

A review on the impact of mining and mineral processing industries through life cycle assessment

Shahjadi Hisan Farjana et al.

JOURNAL OF CLEANER PRODUCTION (2019)

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Article Energy & Fuels

Deep eutectic solvents for cathode recycling of Li-ion batteries

Mai K. Tran et al.

NATURE ENERGY (2019)

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Article Materials Science, Multidisciplinary

A systematic determination of hubbard U using the GBRV ultrasoft pseudopotential set

Joseph W. Bennett et al.

COMPUTATIONAL MATERIALS SCIENCE (2019)

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Article Multidisciplinary Sciences

Particle-size dependent bactericidal activity of magnesium oxide against Xanthomonas perforans and bacterial spot of tomato

Y. Y. Liao et al.

SCIENTIFIC REPORTS (2019)

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Review Green & Sustainable Science & Technology

Recycling of End-of-Life Lithium Ion Batteries, Part I: Commercial Processes

Haruka Pinegar et al.

JOURNAL OF SUSTAINABLE METALLURGY (2019)

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Review Energy & Fuels

A review on the key issues of the lithium ion battery degradation among the whole life cycle

Xuebing Han et al.

ETRANSPORTATION (2019)

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Article Nanoscience & Nanotechnology

Dissolution Mechanisms of LiNi1/3Mn1/3Co1/3O2 Positive Electrode Material from Lithium-Ion Batteries in Acid Solution

Emmanuel Billy et al.

ACS APPLIED MATERIALS & INTERFACES (2018)

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Review Chemistry, Multidisciplinary

Horizons for Li-Ion Batteries Relevant to Electro-Mobility: High-Specific-Energy Cathodes and Chemically Active Separators

Francis Amalraj Susai et al.

ADVANCED MATERIALS (2018)

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Article Engineering, Environmental

Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O-2

Joseph W. Bennett et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2018)

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Article Chemistry, Physical

Identifying the chemical and structural irreversibility in LiNi0.8Co0.15Al0.05O2 - a model compound for classical layered intercalation

Haodong Liu et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

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Article Energy & Fuels

Evolution of redox couples in Li- and Mn-rich cathode materials and mitigation of voltage fade by reducing oxygen release

Enyuan Hu et al.

NATURE ENERGY (2018)

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Article Chemistry, Inorganic & Nuclear

First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide

Joseph W. Bennett et al.

INORGANIC CHEMISTRY (2018)

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Article Nanoscience & Nanotechnology

Influence of Nanoparticle Morphology on Ion Release and Biological Impact of Nickel Manganese Cobalt Oxide (NMC) Complex Oxide Nanomaterials

Mimi N. Hang et al.

ACS APPLIED NANO MATERIALS (2018)

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Article Materials Science, Multidisciplinary

Hubbard parameters from density-functional perturbation theory

Iurii Timrov et al.

PHYSICAL REVIEW B (2018)

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Article Environmental Sciences

CORE CHEMISTRY INFLUENCES THE TOXICITY OF MULTICOMPONENT METAL OXIDE NANOMATERIALS, LITHIUM NICKEL MANGANESE COBALT OXIDE, AND LITHIUM COBALT OXIDE TO DAPHNIA MAGNA

Jared Bozich et al.

ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2017)

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Article Chemistry, Physical

Ab Initio Atomistic Thermodynamics Study of the (001) Surface of LiCoO2 in a Water Environment and Implications for Reactivity under Ambient Conditions

Xu Huang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

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Article Electrochemistry

Transition Metal Dissolution, Ion Migration, Electrocatalytic Reduction and Capacity Loss in Lithium-Ion Full Cells

James A. Gilbert et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2017)

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Review Engineering, Chemical

Advance review on the exploitation of the prominent energy-storage element Lithium. Part II: From sea water and spent lithium ion batteries (LIBs)

Pankaj K. Choubey et al.

MINERALS ENGINEERING (2017)

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Article Chemistry, Multidisciplinary

Influence of nickel manganese cobalt oxide nanoparticle composition on toxicity toward Shewanella oneidensis MR-1: redesigning for reduced biological impact

Ian L. Gunsolus et al.

ENVIRONMENTAL SCIENCE-NANO (2017)

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Article Chemistry, Physical

Impact of Nanoscale Lithium Nickel Manganese Cobalt Oxide (NMC) on the Bacterium Shewanella oneidensis MR-1

Mimi N. Hang et al.

CHEMISTRY OF MATERIALS (2016)

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Article Chemistry, Multidisciplinary

Tuning of Thermal Stability in Layered Li(NixMnyCoz)O2

Jiaxin Zheng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

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Article Chemistry, Physical

Transition metal dissolution and deposition in Li-ion batteries investigated by operando X-ray absorption spectroscopy

Johannes Wandt et al.

JOURNAL OF MATERIALS CHEMISTRY A (2016)

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Article Chemistry, Physical

DFT Study of Antimony(V) Oxyanion Adsorption on α-Al2O3(1(1)over-bar02)

Sai Kumar Ramadugu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

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Article Chemistry, Physical

Ab Initio Approach for Prediction of Oxide Surface Structure, Stoichiometry, and Electrocatalytic Activity in Aqueous Solution

Xi Rong et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

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Article Engineering, Environmental

Hydrometallurgical recovery of metal values from sulfuric acid leaching liquor of spent lithium-ion batteries

Xiangping Chen et al.

WASTE MANAGEMENT (2015)

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Article Chemistry, Multidisciplinary

Comprehensive derivation of bond-valence parameters for ion pairs involving oxygen

Olivier Charles Gagne et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS (2015)

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Pseudopotentials for high-throughput DFT calculations

Kevin F. Garrity et al.

COMPUTATIONAL MATERIALS SCIENCE (2014)

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Article Electrochemistry

The influence of different conducting salts on the metal dissolution and capacity fading of NCM cathode material

Dennis Roman Gallus et al.

ELECTROCHIMICA ACTA (2014)

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Article Engineering, Environmental

Potential Environmental and Human Health Impacts of Rechargeable Lithium Batteries in Electronic Waste

Daniel Hsing Po Kang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)

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Article Chemistry, Multidisciplinary

The Li-Ion Rechargeable Battery: A Perspective

John B. Goodenough et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

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Article Nanoscience & Nanotechnology

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain et al.

APL MATERIALS (2013)

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Article Chemistry, Multidisciplinary

The Birth of the Lithium-Ion Battery

Akira Yoshino

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

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Article Chemistry, Physical

Correlation between dissolution behavior and electrochemical cycling performance for LiNi1/3Co1/3Mn1/3O2-based cells

Honghe Zheng et al.

JOURNAL OF POWER SOURCES (2012)

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Article Chemistry, Physical

Microstructural investigation of LixNi1/3Mn1/3Co1/3O2 (x ≤ 1) and its aged products via magnetic and diffraction study

D. Mohanty et al.

JOURNAL OF POWER SOURCES (2012)

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Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

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Article Chemistry, Physical

High-energy cathode material for long-life and safe lithium batteries

Yang-Kook Sun et al.

NATURE MATERIALS (2009)

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Article Multidisciplinary Sciences

Electrodes with high power and high capacity for rechargeable lithium batteries

KS Kang et al.

SCIENCE (2006)

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Article Chemistry, Physical

6Li NMR studies of cation disorder and transition metal ordering in Li[Ni1/3Mn1/3Co1/3]O2 using ultrafast magic angle spinning

LS Cahill et al.

CHEMISTRY OF MATERIALS (2005)

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Review Chemistry, Physical

Ageing mechanisms in lithium-ion batteries

J Vetter et al.

JOURNAL OF POWER SOURCES (2005)

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Review Chemistry, Physical

Recycling of batteries:: a review of current processes and technologies

AM Bernardes et al.

JOURNAL OF POWER SOURCES (2004)

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Article Multidisciplinary Sciences

Nano-sized transition-metaloxides as negative-electrode materials for lithium-ion batteries

P Poizot et al.

NATURE (2000)

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Understanding the Mechanism of Secondary Cation Release from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2: Insights from First-Principles

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