Journal of Physical Chemistry C

Article	Citations
A Brief Review on Solid Electrolyte Interphase Composition Characterization Technology for Lithium Metal Batteries: Challenges and Perspectives	167
Crystal Orbital Bond Index: Covalent Bond Orders in Solids	137
Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces	130
Quantifying Capacitive and Diffusion-Controlled Charge Storage from 3D Bulk to 2D Layered Halide Perovskite-Based Porous Electrodes for Efficient Supercapacitor Applications	120
X-ray Photoelectron Spectroscopy of Ti3AlC2, Ti3C2Tz, and TiC Provides Evidence for the Electrostatic Interaction between Laminated Layers	113
Recent Developments on Molten Salt Synthesis of Inorganic Nanomaterials: A Review	111
Application of Electrochemical Impedance Spectroscopy to Degradation and Aging Research of Lithium-Ion Batteries	100
Work Function of TiO2 (Anatase, Rutile, and Brookite) Single Crystals: Effects of the Environment	100
Critical Review on the Physical Properties of Gallium-Based Liquid Metals and Selected Pathways for Their Alteration	96
ZnO Nanostructures Application in Electrochemistry: Influence of Morphology	90
New Approach for Determining the Reaction Rate Constant of Hydrate Formation via X-ray Computed Tomography	80
Influence of Group III and IV Elements on the Hydrogen Evolution Reaction of MoS2 Disulfide	78
Toward an Understanding of SEI Formation and Lithium Plating on Copper in Anode-Free Batteries	72
Selective CO2 Photoreduction with Cu-Doped TiO2 Photocatalyst: Delineating the Crucial Role of Cu-Oxidation State and Oxygen Vacancies	70
Electrical Double Layer Structure in Ionic Liquids and Its Importance for Supercapacitor, Battery, Sensing, and Lubrication Applications	69
Modeling Hydrogen Evolution Reaction Kinetics through Explicit Water–Metal Interfaces	69
Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory	66
Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps	66
pH- and Cation-Dependent Water Oxidation on Rutile RuO2(110)	65
Tuning the Interfacial Dipole Moment of Spacer Cations for Charge Extraction in Efficient and Ultrastable Perovskite Solar Cells	64
Molecular Triazine–Heptazine Junctions Promoting Exciton Dissociation for Overall Water Splitting with Visible Light	64
Strained MoSi2N4 Monolayers with Excellent Solar Energy Absorption and Carrier Transport Properties	64
Crossover from Linear Chains to a Honeycomb Network for the Nucleation of Hexagonal Boron Nitride Grown on the Ni(111) Surface	61
Novel p–n Heterojunction Nanocomposite: TiO2 QDs/ZnBi2O4 Photocatalyst with Considerably Enhanced Photocatalytic Activity under Visible-Light Irradiation	61
Two-Dimensional Gallium Sulfide Nanoflakes for UV-Selective Photoelectrochemical-type Photodetectors	58

Relevance of IR Spectroscopy of Adsorbed CO for the Characterization of Heterogeneous Catalysts Containing Isolated Atoms	56
Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries	56
Mode-Specific Chemistry through Vibrational Strong Coupling (or A Wish Come True)	56
2D Layered g-C3N4/WO3/WS2 S-Scheme Heterojunctions with Enhanced Photochemical Performance	55
DNA Origami-Enabled Plasmonic Sensing	53
Photochromism and Persistent Luminescence in Ni-Doped ZnGa2O4 Transparent Glass-Ceramics: Toward Optical Memory Applications	53
Doping-Induced Combined Fano and Phonon Confinement Effect in La-Doped CeO2: Raman Spectroscopy Analysis	53
Year-Long Stability and Near-Unity Photoluminescence Quantum Yield of CsPbBr3 Perovskite Nanocrystals by Benzoic Acid Post-treatment	52
High-Performing Deep Learning Regression Models for Predicting Low-Pressure CO2 Adsorption Properties of Metal–Organic Frameworks	52
From Trash to Treasure: Probing Cycloaddition and Photocatalytic Reduction of CO2 over Cerium-Based Metal–Organic Frameworks	52
The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction	51
Single-Atom Catalysts for Improved Cathode Performance in Na–S Batteries: A Density Functional Theory (DFT) Study	51
Theoretical Study of Excited State Charge Transfer Characteristics based on A–D–A and A–DA′D–A Type Nonfullerene Acceptors	51
Ultrathin NiAl-Layered Double Hydroxides Grown on 2D Ti3C2Tx MXene to Construct Core–Shell Heterostructures for Enhanced Photocatalytic CO2 Reduction	50
Controlled Loading of MoS2 on Hierarchical Porous TiO2 for Enhanced Photocatalytic Hydrogen Evolution	50
Coupling Organic Synthesis and Hydrogen Evolution over Composite WO3/ZnIn2S4 Z-Scheme Photocatalyst	49
Hydrophilic Silver Nanoparticles for Hg(II) Detection in Water: Direct Evidence for Mercury–Silver Interaction	49
Mixed Metal Oxide Electrodes and the Chlorine Evolution Reaction	48
0D–2D Fe2O3/Boron-Doped g-C3N4 S-Scheme Exciton Engineering for Photocatalytic H2O2 Production and Photo-Fenton Recalcitrant-Pollutant	48
Competition Pathways of Energy Relaxation of Hot Electrons through Coupling with Optical, Surface, and Acoustic Phonons	48
Robust Co9S8@CdIn2S4 Cage for Efficient Photocatalytic H2 Evolution	48
Electrochemical CO2 Reduction Reaction on 3d Transition Metal Single-Atom Catalysts Supported on Graphdiyne: A DFT Study	47
A Review on Lithium Phosphorus Oxynitride	47
MoS2 and WS2 Nanotubes: Synthesis, Structural Elucidation, and Optical Characterization	47
First-Principles Insights into the Stability Difference between ABX3 Halide Perovskites and Their A2BX6 Variants	47
Complexity of a Co3O4 System under Ambient-Pressure CO2 Methanation: Influence of Bulk and Surface Properties on the Catalytic Performance	47
Molecular Dynamics Simulations of Mineral Surface Wettability by Water Versus CO2: Thin Films, Contact Angles, and Capillary Pressure in a Silica Nanopore	46
2D Electronic Spectroscopic Techniques for Quantum Technology Applications	46
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning	45
Recent Progress on the Stability of Perovskite Solar Cells in a Humid Environment	45
Why are Double Perovskite Iodides so Rare?	45
Challenges and Strategies to Design Phosphors for Future White Light Emitting Diodes	45
Hot Hole Cooling and Transfer Dynamics from Lead Halide Perovskite Nanocrystals Using Porphyrin Molecules	45
Simulation of Potential-Dependent Activation Energies in Electrocatalysis: Mechanism of O–O Bond Formation on RuO2	44
Interaction of First Row Transition Metals with M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) MXenes: A Quest for Single-Atom Catalysts	44
Transition from Capacitive to Inductive Hysteresis: A Neuron-Style Model to Correlate I–V Curves to Impedances of Metal Halide Perovskites	44
Efficient Direct Band Gap Photovoltaic Material Predicted Via Doping Double Perovskites Cs2AgBiX6 (X = Cl, Br)	44
Recent Advances of Catalysis in the Hydrogenation and Dehydrogenation of N-Heterocycles for Hydrogen Storage	43
Insights into the Hydrogen Evolution Reaction on 2D Transition-Metal Dichalcogenides	43
Selective Hydrogenation of CO2 to Ethanol over Sodium-Modified Rhodium Nanoparticles Embedded in Zeolite Silicalite-1	43
Computational Investigation of MgH2/Graphene Heterojunctions for Hydrogen Storage	43
Dual-Atom Doping Carbon Materials as Highly Efficient Electrocatalysts for Lithium–Sulfur Batteries: Bimetallic Cooperation Mechanism	43
Two-Dimensional BeB2 and MgB2 as High Capacity Dirac Anodes for Li-Ion Batteries: A DFT Study	43
Controlling the Defect Density of Perovskite Films by MXene/SnO2 Hybrid Electron Transport Layers for Efficient and Stable Photovoltaics	43
Lead-Free Alloyed Double-Perovskite Nanocrystals of Cs2(NaxAg1–x)BiBr6 with Tunable Band Gap	43
Investigation on the Mechanism and Inner Impetus of Photogenerated Charge Transfer in WO3/ZnO Heterojunction Photocatalysts	43
Cation-Dependent Interfacial Structures and Kinetics for Outer-Sphere Electron-Transfer Reactions	43
Tuning the Chiral Morphology of Gold Nanoparticles with Oligomeric Gold–Glutathione Complexes	42
Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides	42
Tuning the Magnetic Properties of Hard–Soft SrFe12O19/CoFe2O4 Nanostructures via Composition/Interphase Coupling	42

Bulk Assembly of Zero-Dimensional Organic Copper Bromide Hybrid with Bright Self-Trapped Exciton Emission and High Antiwater Stability	42
Chemically Synthesized Cu3Se2 Film Based Flexible Solid-State Symmetric Supercapacitor: Effect of Reaction Bath Temperature	42
Electrocatalytic Ethanol Oxidation on Cobalt–Bismuth Nanoparticle-Decorated Reduced Graphene Oxide (Co–Bi@rGO): Reaction Pathway Investigation toward Direct Ethanol Fuel Cells	41
Structure and Catalysis of NiOOH: Recent Advances on Atomic Simulation	41
Incorporation of Sodium and Aluminum in Cementitious Calcium-Alumino-Silicate-Hydrate C-(A)-S-H Phases Studied by 23Na, 27Al, and 29Si MAS NMR Spectroscopy	41
Density Functional Theory Study and Photocatalytic Activity of ZnO/N-Doped TiO2 Heterojunctions	41
Three-Dimensional Methylhydrazinium Lead Halide Perovskites: Structural Changes and Effects on Dielectric, Linear, and Nonlinear Optical Properties Entailed by the Halide Tuning	40
Establishment of the Potential of Zero Charge of Metals in Aqueous Solutions: Different Faces of Water Revealed by Ab Initio Molecular Dynamics Simulations	40
Apparent Ferromagnetism in Exfoliated Ultrathin Pyrite Sheets	40
High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO2 to CH4 with High Selectivity and Low Limiting Potential	40
Graphene-Based Dual-Metal Sites for Oxygen Reduction Reaction: A Theoretical Study	40
Gold Nanostars in Biology and Medicine: Understanding Physicochemical Properties to Broaden Applicability	40
Plasma Catalysis for CO2 Hydrogenation: Unlocking New Pathways toward CH3OH	40
Spectroscopic Expression of the External Surface Sites of H-ZSM-5	40
Methods for Lithium Ion NASICON Preparation: From Solid-State Synthesis to Highly Conductive Glass-Ceramics	40
Iron-Modulated Three-Dimensional CoNiP Vertical Nanoarrays: An Exploratory Binder-Free Bifunctional Electrocatalyst for Efficient Overall Water Splitting	39
Molybdenum Atom-Mediated Salphen-Based Covalent Organic Framework as a Promising Electrocatalyst for the Nitrogen Reduction Reaction: A First-Principles Study	39
Advances in Enhancing Luminescence of Atomically Precise Ag Nanoclusters	39
Ag@MIL-101(Cr) Film Substrate with High SERS Enhancement Effect and Uniformity	39
Cation-Dependent Hot Carrier Cooling in the Lead-Free Bismuth Halide A3Bi2I9 (A = FA, MA, and Cs) Perovskite	39
Tailoring Microwave Electromagnetic Responses in Ti3C2Tx MXene with Fe3O4 Nanoparticle Decoration via a Solvothermal Method	39
Metal-Free Phosphorus-Doped ZnIn2S4 Nanosheets for Enhanced Photocatalytic CO2 Reduction	39
Exfoliation of Quasi-Two-Dimensional Nanosheets of Metal Diborides	38
Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy	38
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials	38
Carbonate Ion Crossover in Zero-Gap, KOH Anolyte CO2 Electrolysis	38
Photosensitive Dielectric and Conductivity Relaxation in Lead-Free Cs3Bi2Cl9 Perovskite Single Crystals	38
Structure and Electronic Effects from Mn and Nb Co-doping for Low Band Gap BaTiO3 Ferroelectrics	38
Computational Screening of MOFs and Zeolites for Direct Air Capture of Carbon Dioxide under Humid Conditions	37
Nickel-rich Nickel Manganese Cobalt (NMC622) Cathode Lithiation Mechanism and Extended Cycling Effects Using Operando X-ray Absorption Spectroscopy	37
Perspective on Theoretical Models for CO2 Electrochemical Reduction	37
The Role of H+- and Cu+-Sites for N2O Formation during NH3-SCR over Cu-CHA	37
Physical Mechanisms on Plasmon-Enhanced Organic Solar Cells	37
Trends in Carbon, Oxygen, and Nitrogen Core in the X-ray Absorption Spectroscopy of Carbon Nanomaterials: A Guide for the Perplexed	37
Density Functional Theory Mechanistic Insight into the Peroxidase- and Oxidase-like Activities of Nanoceria	37
Role of Structural Phases and Octahedra Distortions in the Optoelectronic and Excitonic Properties of CsGeX3 (X = Cl, Br, I) Perovskites	37
Ca Doping Effect on the Competition of NH3–SCR and NH3 Oxidation Reactions over Vanadium-Based Catalysts	37
Limited Ferromagnetic Interactions in Monolayers of MPS3 (M = Mn and Ni)	37
The Potential of Zero Charge and the Electrochemical Interface Structure of Cu(111) in Alkaline Solutions	36
Enhancement of Raman Scattering and Exciton/Trion Photoluminescence of Monolayer and Few-Layer MoS2 by Ag Nanoprisms and Nanoparticles: Shape and Size Effects	36
Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions	36
Activator Anion Influences the Nanostructure of Alkali-Activated Slag Cements	36
Theoretical Study of Selective Hydrogenation of CO2 to Methanol over Pt4/In2O3 Model Catalyst	36
Synthesis and CO2 Photoreduction of Lead-Free Cesium Bismuth Halide Perovskite Nanocrystals	36
Spectral Clustering to Analyze the Hidden Events in Single-Molecule Break Junctions	36
Potential Applications of MoS2/M2CS2 (M = Ti, V) Heterostructures as Anode Materials for Metal-Ion Batteries	36
Mg-Doped Nickel Oxide as Efficient Hole-Transport Layer for Perovskite Photodetectors	36
Multi-level Descriptor Construction for Screening Eligible Single-Atom-Embedded Ternary B3C2P3 Monolayers as Nitrogen Fixation Catalysts	35
Perfect Spin Filtering Effect on Fe3GeTe2-Based Van der Waals Magnetic Tunnel Junctions	35
In-Plane Anisotropic Raman Spectroscopy of van der Waals α-MoO3	35
Role of Methyl Acetate in Highly Reproducible Efficient CsPbI3 Perovskite Quantum Dot Solar Cells	35
The Effect of Elemental Doping on Nickel-Rich NCM Cathode Materials of Lithium Ion Batteries	35
Dual Role of Missing-Linker Defects Terminated by Acetate Ligands in a Zirconium-Based MOF in Promoting Photocatalytic Hydrogen Peroxide Production	35
New Insight into the Characterization of Graphene Oxide and Reduced Graphene Oxide Monolayer Flakes on Si-Based Substrates by Optical Microscopy and Raman Spectroscopy	35
Green Approach for the Fabrication of Au/ZnO Nanoflowers: A Catalytic Aspect	35
Polarization Mechanism Underlying Strongly Enhanced Dielectric Permittivity in Polymer Composites with Conductive Fillers	35
Optimizing the Electronic Structure of BiOBr Nanosheets via Combined Ba Doping and Oxygen Vacancies for Promoted Photocatalysis	35
Quantum Defects in Fluorescent Carbon Nanotubes for Sensing and Mechanistic Studies	35
Aggregation Behavior of Asphalt on the Natural Gas Hydrate Surface with Different Surfactant Coverages	35
NMR and Raman Scattering Studies of Temperature- and Pressure-Driven Phase Transitions in CH3NH2NH2PbCl3 Perovskite	35
Anion Exchange Membrane Water Electrolysis: The Future of Green Hydrogen	35
CsPbBr3 Nanocrystal Light-Emitting Diodes with Efficiency up to 13.4% Achieved by Careful Surface Engineering and Device Engineering	35
Tunable Ti3+-Mediated Charge Carrier Dynamics of Atomic Layer Deposition-Grown Amorphous TiO2	35
CoCrFeNi High-Entropy Alloy as an Enhanced Hydrogen Evolution Catalyst in an Acidic Solution	35
Theoretical Insights into Nitrogen-Doped Graphene-Supported Fe, Co, and Ni as Single-Atom Catalysts for CO2 Reduction Reaction	35
Atomistic View of Laser Fragmentation of Gold Nanoparticles in a Liquid Environment	34
Size Effects on Surface Chemistry and Raman Spectra of Sub-5 nm Oxidized High-Pressure High-Temperature and Detonation Nanodiamonds	34
Anti-Ferromagnetic RuO2: A Stable and Robust OER Catalyst over a Large Range of Surface Terminations	34
Plasma-Catalytic Partial Oxidation of Methane on Pt(111): A Microkinetic Study on the Role of Different Plasma Species	34
Two-Component Design Strategy: Achieving Intense Organic Afterglow and Diverse Functions in Coronene-Matrix Systems	34
Tuning Schottky Barrier and Contact Type of Metal–Semiconductor in Ti3C2T2/MoS2 (T = F, O, OH) by Strain: A First-Principles Study	34
Kinetic Modeling of Transient Electroluminescence Reveals TTA as an Efficiency-Limiting Process in Exciplex-Based TADF OLEDs	34
Lead Free Two-Dimensional Mixed Tin and Germanium Halide Perovskites for Photovoltaic Applications	34
Metal–Organic Framework-Activated Full-Color Room-Temperature Phosphorescent Carbon Dots with a Wide Range of Tunable Lifetimes for 4D Coding Applications	34
Electrochemical and Molecular Assessment of Quinones as CO2-Binding Redox Molecules for Carbon Capture	34
Modeling the Gouy–Chapman Diffuse Capacitance with Attractive Ion–Surface Interaction	34
Grain Boundaries and Their Impact on Li Kinetics in Layered-Oxide Cathodes for Li-Ion Batteries	34
Robust, Multi-Length-Scale, Machine Learning Potential for Ag–Au Bimetallic Alloys from Clusters to Bulk Materials	33
Influence of Oxygen Vacancies on the Structure of BiVO4	33
Formation of Co–Au Core–Shell Nanoparticles with Thin Gold Shells and Soft Magnetic ε-Cobalt Cores Ruled by Thermodynamics and Kinetics	33

Mechanical Properties of a Single-Layer Diamane under Tension and Bending	33
Fast Electron Tomography for Nanomaterials	33
Anion Substitution Effects on the Structural, Electronic, and Optical Properties of Inorganic CsPb(I1–xBrx)3 and CsPb(Br1–xClx<	33
Molecular Dynamics Study on the Effect of Long-Chain Surfactant Adsorption on Interfacial Heat Transfer between a Polymer Liquid and Silica Surface	33
Graphene-Modulated PDI/g-C3N4 All-Organic S-Scheme Heterojunction Photocatalysts for Efficient CO2 Reduction under Full-Spectrum Irradiation	33
Organic Gas Sensing Performance of the Borophene van der Waals Heterostructure	33
In Situ Electrocatalytic Infrared Spectroscopy for Dynamic Reactions	33
Prediction of High Curie Temperature, Large Magnetic Crystal Anisotropy, and Carrier Doping-Induced Half-Metallicity in Two-Dimensional Ferromagnetic FeX3 (X = F, Cl, Br, and I) Monolayers	33
Machine Learning-Aided Computational Study of Metal–Organic Frameworks for Sour Gas Sweetening	33
Lithium Palladium Hydride Promotes Chemical Looping Ammonia Synthesis Mediated by Lithium Imide and Hydride	33
Single Metal Atom Catalyst Supported on g-C3N4 for Formic Acid Dehydrogenation: A Combining Density Functional Theory and Machine Learning Study	33
Electrocatalytic Reduction of CO2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory	33
Pd–Cu Alloy Nanoparticles Confined within Mesoporous Hollow Carbon Spheres for the Hydrogenation of CO2 to Formate	33
Point Defects in a Two-Dimensional ZnSnN2 Nanosheet: A First-Principles Study on the Electronic and Magnetic Properties	33
Low Interfacial Energy Barrier and Improved Thermoelectric Performance in Te-Incorporated Polypyrrole	33
Metal–Organic Frameworks for Xylene Separation: From Computational Screening to Machine Learning	32
CsPbBr3, MAPbBr3, and FAPbBr3 Bromide Perovskite Single Crystals: Interband Critical Points under Dry N2 and Optical Degradation under Humid Air	32
Determination of Singlet Oxygen Quantum Yield of a Porphyrinic Metal–Organic Framework	32
Discerning the Role of an A-Site Cation and X-Site Anion for Ion Conductivity Tuning in Hybrid Perovskites by Photoelectrochemical Impedance Spectroscopy	32
In Situ Synthesis of Ag/Ag2O on CeO2 for Boosting Electron Transfer in Photocatalytic Hydrogen Production	32
Voltage Distribution in Porous Carbon Black Films Induced by Water Evaporation	32
Role of Oxygen Vacancy in the Photocarrier Dynamics of WO3 Photocatalysts: The Case of Recombination Centers	32
Potential-Dependent Superlubricity of Ionic Liquids on a Graphite Surface	32
Singlet and Triplet Excited-State Dynamics of a Nonfullerene Electron Acceptor Y6	32
Polaronic Magnetic Excitons and Photoluminescence in Mn2+-Doped CsCdBr3 Metal Halides	32
Microscopic (Dis)order and Dynamics of Cations in Mixed FA/MA Lead Halide Perovskites	32
Understanding the Factors Determining the Faradaic Efficiency and Rate of the Lithium Redox-Mediated N2 Reduction to Ammonia	32
Efficient Calculation of Small Molecule Binding in Metal–Organic Frameworks and Porous Organic Cages	32
New Insight into the Metal-Catalyst-Free Direct Chemical Vapor Deposition Growth of Graphene on Silicon Substrates	32
Raman Spectroscopy and In Situ XRD Probing of the Thermal Decomposition of Sb2Se3 Thin Films	32
Influence of the Molecular Orientation and Ionization of Self-Assembled Monolayers in Biosensors: Application to Genosensors of Prostate Cancer Antigen 3	32
Deterministic Light Yield, Fast Scintillation, and Microcolumn Structures in Lead Halide Perovskite Nanocrystals	31
Operando Local pH Measurement within Gas Diffusion Electrodes Performing Electrochemical Carbon Dioxide Reduction	31
Can a DNA Origami Structure Constrain the Position and Orientation of an Attached Dye Molecule?	31
Predicted Superconductivity in the Electride Li5C	31
Improving Electrocatalytic Oxygen Reduction Activity and Selectivity with a Cobalt Corrole Appended with Multiple Positively Charged Proton Relay Sites	31
Performance Analysis of Perovskite Solar Cells Using DFT-Extracted Parameters of Metal-Doped TiO2 Electron Transport Layer	31
Molecular, Aromatic, and Amorphous Domains of N-Carbon Dots: Leading toward the Competitive Photoluminescence and Photocatalytic Properties	31
Rational Design of Two-Dimensional Porous Boron Phosphide as Efficient Cathode Material for Li and Na Ion Batteries: A First-Principles Study	31
Electrocatalytic Methane Oxidation to Ethanol via Rh/ZnO Nanosheets	31
Physical Strategy to Determine Absolute Electrochemiluminescence Quantum Efficiencies of Coreactant Systems Using a Photon-Counting Photomultiplier Device	31
Bare Mo-Based Ordered Double-Transition Metal MXenes as High-Performance Anode Materials for Aluminum-Ion Batteries	31
Structure of the Silica/Divalent Electrolyte Interface: Molecular Insight into Charge Inversion with Increasing pH	30
Multiferroic Properties and Magnetic Anisotropy in P(VDF-TrFE) Composites with Oriented CoFe2O4 Nanofibers	30
Nature of Enhanced Brønsted Acidity Induced by Extraframework Aluminum in an Ultrastabilized Faujasite Zeolite: An In Situ NMR Study	30
Ligand Energy Staff Gauge for Antenna Effect Study within Metal–Organic Frameworks	30
Trion Binding Energy Variation on Photoluminescence Excitation Energy and Power during Direct to Indirect Bandgap Crossover in Monolayer and Few-Layer MoS2	30
Toward Large-Capacity and High-Stability Lithium Storages via Constructing Quinone–2D-MnO2-Pillared Structures	30
First-Principles Study of the Hexagonal T-Phase PdSe2 Monolayer and Its Application in Solar Cells	30
How Stable Are 2H-MoS2 Edges under Hydrogen Evolution Reaction Conditions?	30
Unraveling Quantum Mysteries: Probing the Interplay of CdS Quantum Dots and g-C3N4 Nanosheets for Enhanced Photo/Electrocatalytic Hydrogen Evolution	30
Au Nanoparticles Embedded in Carbon Self-Doping g-C3N4: Facile Photodeposition Method for Superior Photocatalytic H2 Evolution	30
Promising Lead-Free Double-Perovskite Photovoltaic Materials Cs2MM′Br6 (M = Cu, Ag, and Au; M′ = Ga, In, Sb, and Bi) with an Ideal Band Gap and High Power Conversion Efficiency	30
Theoretical Study of a Novel WSi2N4/MoSi2N4 Heterostructure with Ultrafast Carrier Transport	30
Investigating Multiscale Spatial Distribution of Sulfur in a CNT Scaffold and Its Impact on Li–S Cell Performance	30
Intrinsically Ru-Doped Suboxide TiO2 Nanotubes for Enhanced Photoelectrocatalytic H2 Generation	30
Electron Transfer Facilitated by π–π Stacking during the Nitrobenzene Recognition Process of an MOF Sensor	30
Improvement of the Resistive Switching Characteristics upon Halide Mixing in an All-Inorganic RbPbI3 Perovskite Polymer Composite Based Flexible Device	30
Origin of Performances of Pt/Cu Single-Atom Alloy Catalysts for Propane Dehydrogenation	30
Probing Acid–Base Properties of Anatase TiO2 Nanoparticles with Dominant {001} and {101} Facets Using Methanol Chemisorption and Surface Reactions	30
It’s a Gas: Oxidative Dehydrogenation of Propane over Boron Nitride Catalysts	30
Two-Dimensional Type-II BP/MoSi2P4 vdW Heterostructures for High-Performance Solar Cells	30
First-Principles Studies on Electrocatalytic Activity of Novel Two-Dimensional MA2Z4 Monolayers toward Oxygen Reduction Reaction	30
Temperature Dependence of Charge and Spin Transfer in Azurin	30
Electrocatalytic Nitrogen Reduction by Transition Metal Single-Atom Catalysts on Polymeric Carbon Nitride	30
Surface-State-Mediated Interfacial Hole Transfer Dynamics between CsPbBr3 Perovskite Nanocrystals and Phenothiazine Redox Couple	30
Negative Permittivity Behaviors Derived from Dielectric Resonance and Plasma Oscillation in Percolative Bismuth Ferrite/Silver Composites	29
Oxygen Reduction Reaction on N-Doped Graphene: Effect of Positions and Scaling Relations of Adsorption Energies	29
Potential Application of Perovskite Glass Material in Photocatalysis Field	29
Construction of Indium Oxide/N-Doped Titanium Dioxide Hybrid Photocatalysts for Efficient and Selective Oxidation of Cyclohexane to Cyclohexanone	29
Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores	29
System Engineering Enhances Photoelectrochemical CO2 Reduction	29
Computational Exploration of Stable 4d/5d Transition-Metal MSi2N4 (M = Y–Cd and Hf–Hg) Nanosheets and Their Versatile Electronic and Magnetic Properties	29
First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces	29
Heterogeneous Two-Atom Single-Cluster Catalysts for the Nitrogen Electroreduction Reaction	29
Spin State Tuning of the Octahedral Sites in Ni–Co-Based Spinel toward Highly Efficient Urea Oxidation Reaction	29
Enhanced Desalination Performance of a Flow-Electrode Capacitive Deionization System by Adding Vanadium Redox Couples and Carbon Nanotubes	29
Linear Relationship between the Dielectric Constant and Band Gap in Low-Dimensional Mixed-Halide Perovskites	29
Quinone-Based Conducting Three-Dimensional Metal–Organic Framework as a Cathode Material for Lithium-Ion Batteries	29
Understanding of Light Absorption Properties of the N-Doped Graphene Oxide Quantum Dot with TD-DFT	29
Exciton Binding Energies in Organic Photovoltaic Materials: A Theoretical Perspective	29
Efficient Models for Predicting Temperature-Dependent Henry’s Constants and Adsorption Selectivities for Diverse Collections of Molecules in Metal–Organic Frameworks	29
Hydrogen Adsorption on Defective Nitrogen-Doped Carbon Nanotubes Explained via Machine Learning Augmented DFT Calculations and Game-Theoretic Feature Attributions	29
Tuning the Coordination Environment to Effect the Electrocatalytic Behavior of a Single-Atom Catalyst toward the Nitrogen Reduction Reaction	29
First-Principles Investigation of the Anchoring Behavior of Pristine and Defect-Engineered Tungsten Disulfide for Lithium–Sulfur Batteries	29
Insights into Different Reaction Behaviors of Propane and CO Oxidation over Pt/CeO2 and Pt/Nb2O5: The Crucial Roles of Support Properties	29
Nonvolatile Controlling Valleytronics by Ferroelectricity in 2H-VSe2/Sc2CO2 van der Waals Heterostructure	29
In Situ/Operando IR and Theoretical Studies on the Mechanism of NH3–SCR of NO/NO2 over H–CHA Zeolites	29
Nanotubular OMS-2 Supported Single-Atom Platinum Catalysts Highly Active for Benzene Oxidation	29
Revealing the Impact of Film-Forming Electrolyte Additives on Lithium Metal Batteries via Solid-State NMR/MRI Analysis	29
Can Electron Transport through a Blue-Copper Azurin Be Coherent? An Ab Initio Study	29
Investigation of the Structure and Interface Features of Ni/Ce1–xZrxO2 Catalysts for CO and CO2 Methanation	29
Fourier-Transform Infrared Analysis of the Dehydration Mechanism of Mg(OH)2 and Chemically Modified Mg(OH)2	28
Recent Advances and Perspectives on Colloidal Semiconductor Nanoplatelets for Optoelectronic Applications	28
Unrevealed Performance of NH4VO3 as a Redox-Additive for Augmenting the Energy Density of a Supercapacitor	28