Ieuan D. Seymour
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View article: Factors Impacting the Nuclear Magnetic Resonance Spectra of Electrolyte Adsorbed in Layered Metal-Organic Frameworks
Factors Impacting the Nuclear Magnetic Resonance Spectra of Electrolyte Adsorbed in Layered Metal-Organic Frameworks Open
Electrically conductive layered metal-organic frameworks (MOFs) have a wide range of electrochemical applications including in sensors, batteries, spintronics, magnetic semiconductors, and supercapacitors. In these devices, MOF structure s…
View article: Controlling Electrode–Electrolyte Interactions to Enhance Capacitance
Controlling Electrode–Electrolyte Interactions to Enhance Capacitance Open
Understanding how ions interact with electrode surfaces at the molecular level is essential for improving the performance of energy storage devices and electrocatalysts. However, progress has been limited by the structural disorder and poo…
View article: Controlling Electrode–Electrolyte Interactions to Enhance Capacitance
Controlling Electrode–Electrolyte Interactions to Enhance Capacitance Open
Understanding how ions interact with electrode surfaces at the molecular level is essential for improving the performance of energy storage devices and electrocatalysts. However, progress has been limited by the structural disorder and poo…
View article: Surface oxygen drives electrolyte degradation at Ni-rich battery cathodes
Surface oxygen drives electrolyte degradation at Ni-rich battery cathodes Open
The rapid uptake of lithium-ion batteries for large scale electric vehicle and energy storage applications requires a deeper understanding of the degradation mechanisms that contribute to fading performance. Capacity fade arises because of…
View article: Understanding the Beneficial Role of Transition-Metal Layer Na<sup>+</sup> Substitution on the Structure and Electrochemical Properties of the P2-Layered Cathode Na<sub>2+<i>x</i></sub>Ni<sub>2–<i>x</i>/2</sub>TeO<sub>6</sub>
Understanding the Beneficial Role of Transition-Metal Layer Na<sup>+</sup> Substitution on the Structure and Electrochemical Properties of the P2-Layered Cathode Na<sub>2+<i>x</i></sub>Ni<sub>2–<i>x</i>/2</sub>TeO<sub>6</sub> Open
Layered Na x MO2 sodium oxide positive electrode materials have experienced renewed interest owing to the current commercial attention on sodium-ion batteries. Although there are many attractive qualities of th…
View article: Tuning the band gap and structure from wide gap SrBi<sub>3</sub>O<sub>4</sub>Cl<sub>3</sub> to narrow gap Bi<sub>4</sub>O<sub>4</sub>SeCl<sub>2</sub> by aliovalent anion substitution
Tuning the band gap and structure from wide gap SrBi<sub>3</sub>O<sub>4</sub>Cl<sub>3</sub> to narrow gap Bi<sub>4</sub>O<sub>4</sub>SeCl<sub>2</sub> by aliovalent anion substitution Open
Aliovalent substitution can generates a complex solid solution between SrBi 3 O 4 Cl 3 and Bi 4 O 4 SeCl 2 with very different band gaps, leading to a nearly isolated Se p band and two distinct band-gap like onset energies in intermediate …
View article: Revealing Local Grain Boundary Chemistry and Correlating it with Local Mass Transport in Mixed‐Conducting Perovskite Electrodes
Revealing Local Grain Boundary Chemistry and Correlating it with Local Mass Transport in Mixed‐Conducting Perovskite Electrodes Open
Grain boundary (GB) mass transport, and chemistry exert a pronounced influence on both the performance and stability of electrodes for solid oxide electrochemical cells. Lanthanum strontium cobalt ferrite (LSCF6428) is applied as a model m…
View article: The importance of A-site cation chemistry in superionic halide solid electrolytes
The importance of A-site cation chemistry in superionic halide solid electrolytes Open
Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A 2 ZrCl 6 (A = Li, Na, Cu, Ag) to understand the fundamental role that A-site chemistry…
View article: Tuning the band gap and structure from wide gap SrBi3O4Cl3 to narrow gap Bi4O4SeCl2 by aliovalent anion substitution
Tuning the band gap and structure from wide gap SrBi3O4Cl3 to narrow gap Bi4O4SeCl2 by aliovalent anion substitution Open
Modifying the atomic and electronic structure of materials by chemical substitution is a common method of achieving properties by design. Cations and metal atoms are the most frequent choices for chemical substitution; replacing anions wit…
View article: Probing Jahn–Teller Distortions and Antisite Defects in LiNiO<sub>2</sub> with <sup>7</sup>Li NMR Spectroscopy and Density Functional Theory
Probing Jahn–Teller Distortions and Antisite Defects in LiNiO<sub>2</sub> with <sup>7</sup>Li NMR Spectroscopy and Density Functional Theory Open
The long- and local-range structure and electronic properties of the high-voltage lithium-ion cathode material for Li-ion batteries, LiNiO2, remain widely debated, as are the degradation phenomena at high states of delithiation,…
View article: Lowering the Barrier: Importance of A-Site Cation Chemistry in Superionic Halide Solid Electrolytes
Lowering the Barrier: Importance of A-Site Cation Chemistry in Superionic Halide Solid Electrolytes Open
Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A2ZrCl6 (A = Li, Na, Cu, Ag) to understand the fundamental role th…
View article: Superstructure and Correlated Na<sup>+</sup> Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality
Superstructure and Correlated Na<sup>+</sup> Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality Open
In this work, we present a variable-temperature 23Na NMR and variable-temperature and variable-frequency EPR analysis of the local structure of a layered P2 NIB cathode material, Na0.67[Mg0.28Mn0.72]O2 (NMMO). For the first time, we elucid…
View article: Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells Open
[Abstract]: Oxygen loss at high voltages in Ni-rich NMC//graphite Li-ion batteries promotes degradation, but increasing evidence from full cells reveals that the depth of discharge choice can further accelerate aging, i.e., synergistic deg…
View article: Synergistic degradation mechanism in single crystal Ni-rich NMC//graphite cells
Synergistic degradation mechanism in single crystal Ni-rich NMC//graphite cells Open
Oxygen loss at high voltages in Ni-rich NMC//graphite Li-ion batteries promotes degradation but increasing evidence from full cells has shown the depth of discharge choice can further accelerate aging i.e. synergistic degradation. In this …
View article: Proton-coupled electron transfer at SOFC electrodes
Proton-coupled electron transfer at SOFC electrodes Open
Understanding the charge transfer processes at solid oxide fuel cell (SOFC) electrodes is critical to designing more efficient and robust materials. Activation losses at SOFC electrodes have been widely attributed to the ambipolar migratio…
View article: Neutron Diffraction and DFT Studies of Oxygen Defect and Transport in Higher-Order Ruddlesden-Popper Phase Materials
Neutron Diffraction and DFT Studies of Oxygen Defect and Transport in Higher-Order Ruddlesden-Popper Phase Materials Open
A series of higher-order Ruddlesden-Popper phase materials – La3PrNi3O10-d, La2Pr2Ni3O10-d and LaPr3Ni3O10-d – were synthesised and investigated by neutron powder diffraction to understand the oxygen defect structure and propose possible p…
View article: Application of finite Gaussian process distribution of relaxation times on SOFC electrodes
Application of finite Gaussian process distribution of relaxation times on SOFC electrodes Open
View article: Understanding and Engineering Interfacial Adhesion in Solid‐State Batteries with Metallic Anodes
Understanding and Engineering Interfacial Adhesion in Solid‐State Batteries with Metallic Anodes Open
High performance alkali metal anode solid‐state batteries require solid/solid interfaces with fast ion transfer that are morphologically and chemically stable upon electrochemical cycling. Void formation at the alkali metal/solid‐state ele…
View article: Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part II: Modeling
Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part II: Modeling Open
Understanding the interfacial dynamics of batteries is crucial to control degradation and increase electrochemical performance and cycling life. If the chemical potential of a negative electrode material lies outside of the stability windo…
View article: Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part I: Experiments
Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part I: Experiments Open
To harness all of the benefits of solid-state battery (SSB) architectures in terms of energy density, their negative electrode should be an alkali metal. However, the high chemical potential of alkali metals makes them prone to reduce most…
View article: Application of Finite Gaussian Process Distribution of Relaxation Times on Sofc Electrodes
Application of Finite Gaussian Process Distribution of Relaxation Times on Sofc Electrodes Open
View article: Neutron diffraction and DFT studies of oxygen defect and transport in higher-order Ruddlesden–Popper phase materials
Neutron diffraction and DFT studies of oxygen defect and transport in higher-order Ruddlesden–Popper phase materials Open
The plot of formation energy for oxygen vacancies at the O1–O5 sites in the Bmab primitive cell structures of La 4 Ni 3 O 10 , La 2 Pr 2 Ni 3 O 10 and Pr 4 Ni 3 O 10 , showing oxygen vacancies prefer O1, O2 and O3 crystallographic sites in…
View article: Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part II: Modelling
Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part II: Modelling Open
Understanding the interfacial dynamics of batteries is crucial to control degradation and increase electrochemical performance and cycling life. If the chemical potential of a negative electrode material lies outside of the stability windo…
View article: Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part I: experiments
Operando characterization and theoretical modelling of metal|electrolyte interphase growth kinetics in solid-state-batteries - Part I: experiments Open
To harness all the benefits of solid-state battery (SSB) architectures in terms of energy density, their negative electrode should be an alkali metal. However, the high chemical potential of alkali metals makes them prone to reduce most so…
View article: <sup>17</sup>O NMR Spectroscopy in Lithium-Ion Battery Cathode Materials: Challenges and Interpretation
<sup>17</sup>O NMR Spectroscopy in Lithium-Ion Battery Cathode Materials: Challenges and Interpretation Open
Modern studies of lithium-ion battery (LIB) cathode materials employ a large range of experimental and theoretical techniques to understand the changes in bulk and local chemical and electronic structures during electrochemical cycling (ch…
View article: Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes
Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes Open
Activation losses at solid oxide fuel cell (SOFC) electrodes have been widely attributed to charge transfer at the electrode surface. The electrostatic nature of electrode-gas interactions allows us to study these phenomena by simulating a…
View article: Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes
Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes Open
Activation losses at solid oxide-fuel cell (SOFC) electrodes have been widely attributed to charge transfer at the electrode surface. The electrostatic nature of electrode-gas interactions allows us to study these phenomena by simulating a…
View article: New insights into the kinetics of metal|electrolyte interphase growth in solid-state-batteries via an operando XPS analysis - part II: modelling
New insights into the kinetics of metal|electrolyte interphase growth in solid-state-batteries via an operando XPS analysis - part II: modelling Open
Understanding the interfacial dynamics of batteries is crucial to control degradation and increase electrochemical performance and cycling life. If the chemical potential of a negative electrode material lies outside of the stability windo…
View article: New insights into the kinetics of metal|electrolyte interphase growth in solid-state-batteries via an operando XPS analysis - part I: experiments
New insights into the kinetics of metal|electrolyte interphase growth in solid-state-batteries via an operando XPS analysis - part I: experiments Open
To harness all the benefits of solid-state battery (SSB) architectures in terms of energy density, their negative electrode should be an alkali metal. However, the high chemical potential of alkali metals make them prone to reduce most sol…
View article: Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes
Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes Open
Activation losses at solid oxide-fuel cell (SOFC) electrodes have been widely attributed to charge transfer at the electrode surface. The electrostatic nature of electrode-gas interactions allows us to study these phenomena by simulating a…