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RESEARCH PAPER · Journal of Materials Chemistry C · 2020

Electrides: a review

Chang Liu, S. A. Nikolaev, Wei Li Ren, Lee A. Burton

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Electrides: a reviewOriginalRecent Advances in Heterogeneous Catalysis for Ammonia Synthesis177Data-Mining Element Charges in Inorganic Materials5Highly conductive C12A7:e− electride nanoparticles as an electron donor type promoter to P25 for enhancing photocatalytic hydrogen evolution10Switching from an electride-like molecule to the molecular electride K-F 6 C 6 H 6 driven by an oriented external electric field10A high-temperature quantum anomalous Hall effect in electride gadolinium monohalides13From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF) 3 M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches19Ground and excited states analysis of alkali metal ethylenediamine and crown ether complexes11MXene Phase with C3 Structure Unit: A Family of 2D Electrides25Electronic structure of graphene/Y2C heterostructure and related doping effect9First-principles design of halide-reduced electrides: Magnetism and topological phases6Predicted Superconductivity in the Electride Li 5 C67Nackte Elektronen mit Potenzial0Strong electronic correlations in interstitial magnetic centers of zero-dimensional electride β−Yb5Sb324Superconducting incommensurate host-guest phases in compressed elemental sulfur18Enhanced Activation of CO2 on h-BN Nanosheets via Forming a Donor–Acceptor Heterostructure with 2D M2X Electrenes22The Facile Dissociation of Carbon–Oxygen Bonds in CO2and CO on the Surface of LaCoSiHxIntermetallic Compound31The Facile Dissociation of Carbon–Oxygen Bonds in CO2and CO on the Surface of LaCoSiHxIntermetallic Compound1The case for fluoride-ion batteries152Antiferromagnetism caused by excess electrons and multiple topological electronic states in the electride Ba4Al5·e−49Superatomic Chelates: The Cases of Metal Aza-Crown Ethers and Cryptands11A Van Der Waals Cacl Semiconducting Electrene and Ferromagnetic Half-Metallicity Induced by Superhalogen Decoration5Can a molecular switch exist in both superalkali electride and superalkalide forms?7Computational mining of endohedral C 70 electrides: tri-metal alkali and alkaline-earth encapsulation4Hydride ion intercalation and conduction in the electride Sr 3 CrN 316Predicted stable electrides in Mg–Al systems under high pressure6Strain-induced multigap superconductivity in electrene Mo 2 N: a first principles study23Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN) 3 Na: from superalkali to superalkalides12Tuning the Magnetic and Electronic Properties of Two-Dimensional Electrides by Forming Cationic Janus Compounds5Ultralow work function of the electride Sr 3 CrN 316Can boron form coordination complexes with diffuse electrons? Evidence for linked solvated electron precursors8First-Principles Study of Three-Dimensional Electrides Containing One-Dimensional [Ba3N]3+ Chains8Physical and one-dimensional properties of single-crystalline La5AgPb33Superconducting Li10Se electride under pressure35Sc 2 C, a 2D Semiconducting Electride64Theoretical and Experimental Studies of Gallate Melilite Electrides from Topotactic Reduction of Interstitial Oxide Ion Conductors6Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction32Molecular Electrides: An In Silico Perspective11As-Li electrides under high pressure: Superconductivity, plastic, and superionic states49Pressure-stabilized superconducting electride Li5C39Crystalline aluminum silicides with electride state and superconductivity under high pressure13Crystal chemistry at high pressure3Predicted superconductivity and superionic state in the electride Li5N under high pressure53A room-temperature-stable electride and its reactivity: Reductive benzene/pyridine couplings and solvent-free Birch reductions67Role of Counterions in the Structural Stabilisation of Redox‐Active Metal‐Organic Frameworks**5A fresh perspective on metal ammonia molecular complexes and expanded metals: opportunities in catalysis and quantum information9Identifying different electronic transport mechanisms in nanoporous inorganic electrides – a combined study using Hall measurements and electron paramagnetic resonance spectroscopy0New kind of electride sandwich complexes based on the cyclooctatetraene ligand M 1 2 (η 8 -C 8 H 8 ) 2 M 2 2 (M 1 = Na, K and M 2 = Ca, Mg): a theoretical study7Nonnuclear maxima in the molecular electron density4Locating anionic hydrogen in Ba3(Yb,Lu)2O5H2: A combined approach of X-ray diffraction, crystal chemistry, and DFT calculations2Magnetic Electrides: High-Throughput Material Screening, Intriguing Properties, and Applications89Hydrated electrons as nodes in porous clathrate hydrates7Multi‐Dimensional Topological Fermions in Electrides15Corrosion behavior of anodized Ti-Ta binary surface alloys in various physiological fluids for implant applications20Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies10Introducing Novel Materials with Diffuse Electrons for Applications in Redox Catalysis and Quantum Computing via Theoretical Calculations11Electride intermetallics with the CeScSi structure-type : modification of properties by topotactic insertion of light elements (H, O, and F) and application as catalyst for synthesis of ammonia0Thickness‐Dependent Superconductivity in a Layered Electride on Silicon10Heavy metals in yttrium silicide electride (Y5Si3:e−)2Acid-durable intermetallic CaNi2Si2 catalyst with electron-rich Ni sites for aqueous phase hydrogenation of unsaturated organic anhydrides/acids9Reduction of K+ or Li+ in the Heterobimetallic Electride K+[LiN(SiMe3)2]e–21Models of Oxygen Occupancy in Lead Phosphate Apatite Pb10(PO4)6O13First-Principles Investigation of Electrides Derived from Sodalites3On the Electride Nature of Na‐hP431On the Electride Nature of Na‐hP45Distinct electridelike nature of infinite-layer nickelates and the resulting theoretical challenges to calculate their electronic structure12Emerging half metal electrides in manganese oxyarsenide hydrides LaMnAsO 1 − x H x0Ground and excited electronic structures of electride and alkalide units: The cases of Metal‐Tren , ‐ Azacryptand , and ‐ TriPip222 complexes4Ammonia: emission, atmospheric transport, and deposition3Assessing the design rules of electrides4Nonvolatile Electrical Control of Both Magnetic Anisotropy and Half-Metallicity in Bilayer Stacked Heterojunctions of Ferrovalley Electride Gdi2 And Ferroelectric Al2te30Universal Metallic Surface States in Electrides6Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride41Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride3Electride pure α-Zr: interstitial electrons induced type-II nodal line3Superconducting, plastic, and superionic states driven by four-membered lithium rings in a high-pressure lithium-lead compound12Ferroelectricity in oxygen-terminated two-dimensional carbides of lanthanide elements5Nonvolatile ferroelectric control of both magnetic anisotropy and half-metallicity in multiferroic heterostructures GdI2/Al2Te38Electron-phonon driven superconductivity in the novel A15 phase of the Ti–Te system under pressure4Interplay of electronic correlations and chemical bonding in FeN 2 under pressure0Vacancy-Induced Anionic Electrons in Single-Metal Oxides and Their Possible Applications in Ammonia Synthesis18Scandium and Titanium doped hexamine for remarkable nonlinear optical properties: a DFT study5‘Beyond Li-ion technology’—a status review16Two-dimensional electron gas on the surface of alkali-earth metal based electrides: Assistance to overcome tunneling barriers in ohmic contacts9Mechanochemistry for Organic and Inorganic Synthesis163Topological relations between crystal structures: a route to predicting inorganic materials3Pressure-stabilized electride Li 10 Si with superconducting and superionic behavior14Computational design of electride superconductors at high pressures21Theoretical investigation on the possible use of superalkalis containing aza-cryptand in designing novel alkalides and alkaline earthides3Electrides: Emerging electronic materials for catalysis10Simultaneous Superconducting and Topological Properties in Mg–Li Electrides at High Pressures12Transport and scattering of confined electrons in electrides1Catalisadores para síntese de amônia: revisão e desafios para a produção sustentável0Conquering the impossible: mechanochemistry as a tool for tackling coordination chemistry challenges14Cooperative adsorption performance of topological nodal surface fermions and excess electrons in a three-dimensional topological electride Ba 3 CrN 30Density functional theory study on high-pressure structures and electronic properties of Mg-Al alloys0Exploring Interstitial Electronic States in Electride Materials: Dft+U+V Insights into Li8au0Electride transition in liquid aluminum under high pressure and high temperature4Impact of Coulomb interactions on the phase transition and electronic structure of Ba 2 N electride under pressure: A DFT+U+V approach3Magnetic electrides: Recent advances in materials realization and application prospects20Leading role of satellite interstitial electrons in superconductivity in ternary superlithide Li14CP3Encapsulation of volatile fission products by the intermetallic electride Sr3CrN3:e–2Fermi-Level Interstitial Electron Contributions: A Key Mechanism Driving Magnetism in Electrides10High-Pressure Electrides: A Quantum Chemical Perspective13Exploring interstitial electronic states in electride materials: DFT+U+V insights into Li 8 Au2Recent Advancement in Electrocatalytic Water Splitting Facilitated by the Sulfide Oxidation Reaction23Electride-Induced Electron Transfer to Metal Phthalocyanines: A Mechanistic and Catalytic Study1Valence and Oxidation State: A Comparison of Their Value and Limitations as Simple Chemical Models5vdW electrene XCl (X=Sc, Y, and La) as electron injector in XCl/CrI3 heterostructures: Inducing half-metallicity in both CrI3 and XCl monolayers1Liquid Storage0Liquid Ammonia—Revisiting an Old Friend with New Purpose22D Electron Gas‐Induced the Lowered Tunneling Barrier and Ohmic Behavior Simultaneously in 2D Metal‐Semiconductor Contacts10Ultrastable One‐Dimensional Ti 2 S Electride Support for an Efficient and Durable Bifunctional Electrocatalyst2Explainable Recommendation Engines to Predict Complex Intermetallics: Synthesis and Characterization of Gd10RuCd3, a Neutron Absorption Material1Electrides with Tunable Electron Delocalization for Applications in Quantum Computing and Catalysis4Obstructed atomic insulator inorganic electrides2Superconductivity in pure hafnium kagome electride under high pressure1Orbital-tailored interstitial magnetism: From electrides to magnetrides3Electron-Deficient Type Electride Li 4 Al under High Pressure: Bonding Properties and Superconductivity2First-Principles Study of Dimensionality Evolution of Electrides under Pressure1How are valence electrons distributed in hyperlithiated carbon clusters? an answer from the electron localization function topology0Cluster-based materials: design and applications5Dopant-driven photonic nonlinear optical responses in Mg 4 O 3 electrides1Strain-tunable anionic states and work function in 2D electrenes: A DFT analysis0Electride-Stabilized Iridium Nanoparticles with Subsurface Oxygen Confinement for Oxygen Evolution Electrocatalysis21Confinement of quasi-atomic structures in Ti 2 N and Ti 3 N 2 MXene electrides1Electrides: From fundamental concepts to tunable magnetism in layered systems1Mott magnetism, structural distortion, and superconductivity induced by interstitial electrons in calcium iodine electrides0Experimental realization of dice-lattice flat band at the Fermi level in layered electride YCl6Regulation function of electron-donating electride layer in multireaction electrocatalysis1Kagome Electride Superconductors Under Extreme Conditions0Role of interstitial anionic electrons in high-pressure Li-Pd superconducting electrides1Active‐Metal‐Rich Intermetallics as a Platform for Tiered Interstitial Electronic States0Electronic Structure and Orbital Filling in 2D YCl Electride Single-Atom Catalysts: A Combined First-Principles and Machine-Learning Study0Emergent antiferromagnetism and Mott proximity in BaF electride bilayer1Accelerated Inorganic Electride Discovery by Generative Models and Hierarchical Screening0Quantum phase competition driven by interstitial electrons in compressed Li-Ir electrides0First-Principles and Machine Learning Study of ML- P 4/ mmm -LaBr2: A Promising Flexible Electronic Material0Research progress on Electron Transpiration Cooling technology for hypersonic vehicles0Interface-driven surface magnetism and correlation effects in van der Waals electride heterostructures0Affinity of volatile fission products by a ternary intermetallic electride CaRuSi0Pressure-Induced Phase Transitions in Cr-Based Nitride Electrides0

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