Journal of Physical Chemistry C

Article	Citations
A Brief Review on Solid Electrolyte Interphase Composition Characterization Technology for Lithium Metal Batteries: Challenges and Perspectives	158
A Machine Learning Model on Simple Features for CO2 Reduction Electrocatalysts	130
Dual Self-Trapped Exciton Emission with Ultrahigh Photoluminescence Quantum Yield in CsCu2I3 and Cs3Cu2I5 Perovskite Single Crystals	111
Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces	108
Electric Field Effects in Oxygen Reduction Kinetics: Rationalizing pH Dependence at the Pt(111), Au(111), and Au(100) Electrodes	108
Crystal Orbital Bond Index: Covalent Bond Orders in Solids	105
Fabrication of a Sb2MoO6/g-C3N4 Photocatalyst for Enhanced RhB Degradation and H2 Generation	104
Quantifying Capacitive and Diffusion-Controlled Charge Storage from 3D Bulk to 2D Layered Halide Perovskite-Based Porous Electrodes for Efficient Supercapacitor Applications	96
Recent Developments on Molten Salt Synthesis of Inorganic Nanomaterials: A Review	91
Ultrahigh Out-of-Plane Piezoelectricity Meets Giant Rashba Effect in 2D Janus Monolayers and Bilayers of Group IV Transition-Metal Trichalcogenides	87
Theoretical Investigation of Single and Double Transition Metals Anchored on Graphyne Monolayer for Nitrogen Reduction Reaction	82
Descriptors for Hydrogen Evolution on Single Atom Catalysts in Nitrogen-Doped Graphene	82
X-ray Photoelectron Spectroscopy of Ti3AlC2, Ti3C2Tz, and TiC Provides Evidence for the Electrostatic Interaction between Laminated Layers	81
Work Function of TiO2 (Anatase, Rutile, and Brookite) Single Crystals: Effects of the Environment	80
Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications	79
Identification of Active Sites of Pure and Nitrogen-Doped Carbon Materials for Oxygen Reduction Reaction Using Constant-Potential Calculations	78
Critical Review on the Physical Properties of Gallium-Based Liquid Metals and Selected Pathways for Their Alteration	78
Influence of Group III and IV Elements on the Hydrogen Evolution Reaction of MoS2 Disulfide	77
ZnO Nanostructures Application in Electrochemistry: Influence of Morphology	75
Synergistic Enhanced Thermal Conductivity of Epoxy Composites with Boron Nitride Nanosheets and Microspheres	74
New Approach for Determining the Reaction Rate Constant of Hydrate Formation via X-ray Computed Tomography	73
Increasing the Efficiency of Water Splitting through Spin Polarization Using Cobalt Oxide Thin Film Catalysts	68
Correlation of Dielectric Confinement and Excitonic Binding Energy in 2D Layered Hybrid Perovskites Using Temperature Dependent Photoluminescence	64
Surface Chemistry Matters. How Ligands Influence Excited State Interactions between CsPbBr3 and Methyl Viologen	62
Piezo-photocatalytic Activity of Bi0.5Na0.5TiO3@TiO2 Composite Catalyst with Heterojunction for Degradation of Organic Dye Molecule	61

Plasma-Catalytic Ammonia Synthesis in a DBD Plasma: Role of Microdischarges and Their Afterglows	60
Crossover from Linear Chains to a Honeycomb Network for the Nucleation of Hexagonal Boron Nitride Grown on the Ni(111) Surface	60
Electrical Double Layer Structure in Ionic Liquids and Its Importance for Supercapacitor, Battery, Sensing, and Lubrication Applications	60
Application of Electrochemical Impedance Spectroscopy to Degradation and Aging Research of Lithium-Ion Batteries	60
Shapes, Plasmonic Properties, and Reactivity of Magnesium Nanoparticles	59
Terahertz Spectroscopy of Emerging Materials	59
Modeling Hydrogen Evolution Reaction Kinetics through Explicit Water–Metal Interfaces	59
Tuning the Interfacial Dipole Moment of Spacer Cations for Charge Extraction in Efficient and Ultrastable Perovskite Solar Cells	57
Strained MoSi2N4 Monolayers with Excellent Solar Energy Absorption and Carrier Transport Properties	57
Unravelling the Thickness Dependence and Mechanism of Surface-Enhanced Raman Scattering on Ti3C2TX MXene Nanosheets	57
Toward an Understanding of SEI Formation and Lithium Plating on Copper in Anode-Free Batteries	56
Electronic Structure, Optical Properties, and Photoelectrochemical Activity of Sn-Doped Fe2O3 Thin Films	56
Selective CO2 Photoreduction with Cu-Doped TiO2 Photocatalyst: Delineating the Crucial Role of Cu-Oxidation State and Oxygen Vacancies	55
Molecular Triazine–Heptazine Junctions Promoting Exciton Dissociation for Overall Water Splitting with Visible Light	55
Novel p–n Heterojunction Nanocomposite: TiO2 QDs/ZnBi2O4 Photocatalyst with Considerably Enhanced Photocatalytic Activity under Visible-Light Irradiation	55
Coordination Effects in Polymer Electrolytes: Fast Li+ Transport by Weak Ion Binding	54
2D Layered g-C3N4/WO3/WS2 S-Scheme Heterojunctions with Enhanced Photochemical Performance	54
Substrate-Dependent Exciton Diffusion and Annihilation in Chemically Treated MoS2 and WS2	53
Dynamic Lattice Oxygen Participation on Perovskite LaNiO3 during Oxygen Evolution Reaction	51
High-Throughput Screening of Hydrogen Evolution Reaction Catalysts in MXene Materials	51
Ester-Based Electrolytes for Fast Charging of Energy Dense Lithium-Ion Batteries	50
Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory	50
Revealing Expansion Mechanism of Cement-Stabilized Expansive Soil with Different Interlayer Cations through Molecular Dynamics Simulations	49
Interaction of Single-Atom Platinum–Oxygen Vacancy Defects for the Boosted Photosplitting Water H2 Evolution and CO2 Photoreduction: Experimental and Theoretical Study	49
Designing Efficient Dual-Metal Single-Atom Electrocatalyst TMZnN6 (TM = Mn, Fe, Co, Ni, Cu, Zn) for Oxygen Reduction Reaction	48
pH- and Cation-Dependent Water Oxidation on Rutile RuO2(110)	48
Hydrogen Evolution Reaction Activity of Heterogeneous Materials: A Theoretical Model	48
DNA Origami-Enabled Plasmonic Sensing	47
Single-Atom Catalysts for Improved Cathode Performance in Na–S Batteries: A Density Functional Theory (DFT) Study	47
Mode-Specific Chemistry through Vibrational Strong Coupling (or A Wish Come True)	47
Electronic and Transport Properties in Defective MoS2: Impact of Sulfur Vacancies	47
Synthesis of Uniformly Sized Mesoporous Silver Films and Their SERS Application	47
Roughness Factor-Dependent Transport Characteristic of Shale Gas through Amorphous Kerogen Nanopores	46
Multiphysics Modeling of Plasmonic Photothermal Heating Effects in Gold Nanoparticles and Nanoparticle Arrays	46
Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps	46
Unraveling the Eu2+ → Mn2+ Energy Transfer Mechanism in w-LED Phosphors	46
Continuum Theory of Electrostatic Correlations at Charged Surfaces	46
Stable Multifunctional Single-Atom Catalysts Resulting from the Synergistic Effect of Anchored Transition-Metal Atoms and Host Covalent–Organic Frameworks	46
A Deep-Learning Potential for Crystalline and Amorphous Li–Si Alloys	45
Two-Dimensional Gallium Sulfide Nanoflakes for UV-Selective Photoelectrochemical-type Photodetectors	45
Strongly Enhanced Dielectric Response and Structural Investigation of (Sr2+, Ge4+) Co-Doped CCTO Ceramics	45
Single-Atom Catalysts as Promising Cathode Materials for Lithium–Sulfur Batteries	45
Recent Progress on the Stability of Perovskite Solar Cells in a Humid Environment	45
Robust Co9S8@CdIn2S4 Cage for Efficient Photocatalytic H2 Evolution	45
Complexity of a Co3O4 System under Ambient-Pressure CO2 Methanation: Influence of Bulk and Surface Properties on the Catalytic Performance	44
Doping-Induced Combined Fano and Phonon Confinement Effect in La-Doped CeO2: Raman Spectroscopy Analysis	44
Hydrophilic Silver Nanoparticles for Hg(II) Detection in Water: Direct Evidence for Mercury–Silver Interaction	44
Critical Role of Shell in Enhanced Fluorescence of Metal–Dielectric Core–Shell Nanoparticles	44
Plasma-Based CO2 Conversion: To Quench or Not to Quench?	44
Nucleation of Brushite and Hydroxyapatite from Amorphous Calcium Phosphate Phases Revealed by Dynamic In Situ Raman Spectroscopy	44

Tuning Single-Atom Catalysts of Nitrogen-Coordinated Transition Metals for Optimizing Oxygen Evolution and Reduction Reactions	43
Year-Long Stability and Near-Unity Photoluminescence Quantum Yield of CsPbBr3 Perovskite Nanocrystals by Benzoic Acid Post-treatment	43
From Trash to Treasure: Probing Cycloaddition and Photocatalytic Reduction of CO2 over Cerium-Based Metal–Organic Frameworks	43
Photochromism and Persistent Luminescence in Ni-Doped ZnGa2O4 Transparent Glass-Ceramics: Toward Optical Memory Applications	43
Theoretical Study of Excited State Charge Transfer Characteristics based on A–D–A and A–DA′D–A Type Nonfullerene Acceptors	42
Coelectrodeposition of NiSe/ZnSe Hybrid Nanostructures as a Battery-Type Electrode for an Asymmetric Supercapacitor	42
Relevance of IR Spectroscopy of Adsorbed CO for the Characterization of Heterogeneous Catalysts Containing Isolated Atoms	42
2D Electronic Spectroscopic Techniques for Quantum Technology Applications	42
The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction	42
Message Passing Neural Networks for Partial Charge Assignment to Metal–Organic Frameworks	42
Competition Pathways of Energy Relaxation of Hot Electrons through Coupling with Optical, Surface, and Acoustic Phonons	42
Ultrathin NiAl-Layered Double Hydroxides Grown on 2D Ti3C2Tx MXene to Construct Core–Shell Heterostructures for Enhanced Photocatalytic CO2 Reduction	42
Improved High Rate Performance and Cycle Performance of Al-Doped O3-Type NaNi0.5Mn0.5O2 Cathode Materials for Sodium-Ion Batteries	41
High-Performing Deep Learning Regression Models for Predicting Low-Pressure CO2 Adsorption Properties of Metal–Organic Frameworks	41
CO2 Conversion in Nonuniform Discharges: Disentangling Dissociation and Recombination Mechanisms	41
Adsorption and Diffusion of Carbon Dioxide, Methane, and Their Mixture in Carbon Nanotubes in the Presence of Water	41
Electrochemical CO2 Reduction Reaction on 3d Transition Metal Single-Atom Catalysts Supported on Graphdiyne: A DFT Study	41
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning	41
Efficient Direct Band Gap Photovoltaic Material Predicted Via Doping Double Perovskites Cs2AgBiX6 (X = Cl, Br)	41
Controlled Formation of Native Defects in Ultrapure ZnO for the Assignment of Green Emissions to Oxygen Vacancies	41
Convolutional Network Analysis of Optical Micrographs for Liquid Crystal Sensors	40
Why are Double Perovskite Iodides so Rare?	40
Electronic Structure and Interface Energetics of CuBi2O4 Photoelectrodes	40
Controlled Loading of MoS2 on Hierarchical Porous TiO2 for Enhanced Photocatalytic Hydrogen Evolution	40
First-Principles Insights into the Stability Difference between ABX3 Halide Perovskites and Their A2BX6 Variants	40
Optimization of a Heterogeneous Ternary Li3PO4–Li3BO3–Li2SO4 Mixture for Li-Ion Conductivity by Machine Learning	40
Sulfur-Donor Solvents Strongly Coordinate Pb2+ in Hybrid Organic–Inorganic Perovskite Precursor Solutions	40
Nature of Terminating Hydroxyl Groups and Intercalating Water in Ti3C2Tx MXenes: A Study by 1H Solid-State NMR and DFT Calculations	39
Mixed Metal Oxide Electrodes and the Chlorine Evolution Reaction	39
Reactivity of a Zirconia–Copper Inverse Catalyst for CO2 Hydrogenation	39
Identification of Singlet Self-Trapped Excitons in a New Family of White-Light-Emitting Zero-Dimensional Compounds	39
Computational Selection of High-Performing Covalent Organic Frameworks for Adsorption and Membrane-Based CO2/H2 Separation	39
Promoting Active Sites for Hydrogen Evolution in MoSe2 via Transition-Metal Doping	39
Coupling Organic Synthesis and Hydrogen Evolution over Composite WO3/ZnIn2S4 Z-Scheme Photocatalyst	39
Investigation on the Mechanism and Inner Impetus of Photogenerated Charge Transfer in WO3/ZnO Heterojunction Photocatalysts	39
Cation-Dependent Interfacial Structures and Kinetics for Outer-Sphere Electron-Transfer Reactions	39
Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides	39
Adsorption of Cadmium Using Biochars Produced from Agro-Residues	38
Lead-Free Alloyed Double-Perovskite Nanocrystals of Cs2(NaxAg1–x)BiBr6 with Tunable Band Gap	38
MoS2 and WS2 Nanotubes: Synthesis, Structural Elucidation, and Optical Characterization	38
Hot Hole Cooling and Transfer Dynamics from Lead Halide Perovskite Nanocrystals Using Porphyrin Molecules	38
Integration of Cobalt Metal–Organic Frameworks into an Interpenetrated Prussian Blue Analogue to Derive Dual Metal–Organic Framework-Assisted Cobalt Iron Derivatives for Enhancing Electrochemical Tota	38
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	38
How the Nature of the Alkali Metal Cations Influences the Double-Layer Capacitance of Cu, Au, and Pt Single-Crystal Electrodes	38
Insight into the Ionic Transport of Solid Polymer Electrolytes in Polyether and Polyester Blends	38
Inhibit of Lithium Dendrite Growth in Solid Composite Electrolyte by Phase-Field Modeling	38
Enhanced Synchronously Emission Dissymmetry Factor and Quantum Efficiency of Circularly Polarized Phosphorescence from Point-Chiral Cyclometalated Platinum(II) Liquid Crystal	38
Photocatalytic Materials for Reduction of Nitroarenes and Nitrates	37
Exploring the Coexistence Mechanism of CsPb2Br5 and CsPbBr3 Based on the Competitive Phase Diagram	37
Disentangling Brønsted Acid Sites and Hydrogen-Bonded Silanol Groups in High-Silica Zeolite H-ZSM-5	37
Analytic Model of Chiral-Induced Spin Selectivity	37
Superior Photocatalytic Hydrogen Evolution Performances of WS2 over MoS2 Integrated with CdS Nanorods	37
Phase- and Morphology-Controlled Synthesis of Tunable Plasmonic MoO3–x Nanomaterials for Ultrasensitive Surface-Enhanced Raman Spectroscopy Detection	37
Computational Investigation of MgH2/Graphene Heterojunctions for Hydrogen Storage	37
Effect of Surface Structure and Composition on the Electromagnetic Properties of Ti3C2Tx MXenes for Highly Efficient Electromagnetic Wave Absorption	37
Chemically Synthesized Cu3Se2 Film Based Flexible Solid-State Symmetric Supercapacitor: Effect of Reaction Bath Temperature	37
Three-Dimensional Methylhydrazinium Lead Halide Perovskites: Structural Changes and Effects on Dielectric, Linear, and Nonlinear Optical Properties Entailed by the Halide Tuning	36
Two-Dimensional BeB2 and MgB2 as High Capacity Dirac Anodes for Li-Ion Batteries: A DFT Study	36
A Review on Lithium Phosphorus Oxynitride	36
Insight into the Effect of Cobalt Substitution on the Catalytic Performance of LaMnO3 Perovskites for Total Oxidation of Propane	36
Molybdenum Atom-Mediated Salphen-Based Covalent Organic Framework as a Promising Electrocatalyst for the Nitrogen Reduction Reaction: A First-Principles Study	36
Plasma Catalysis for CO2 Hydrogenation: Unlocking New Pathways toward CH3OH	36
High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO2 to CH4 with High Selectivity and Low Limiting Potential	36
Modeling and Simulation of Concentrated Aqueous Solutions of LiTFSI for Battery Applications	36
Physical Mechanisms on Plasmon-Enhanced Organic Solar Cells	36
Methods for Lithium Ion NASICON Preparation: From Solid-State Synthesis to Highly Conductive Glass-Ceramics	36
Challenges and Strategies to Design Phosphors for Future White Light Emitting Diodes	35
Gold Nanostars in Biology and Medicine: Understanding Physicochemical Properties to Broaden Applicability	35
Spectroscopic Expression of the External Surface Sites of H-ZSM-5	35
Molecular Dynamics Simulations of Mineral Surface Wettability by Water Versus CO2: Thin Films, Contact Angles, and Capillary Pressure in a Silica Nanopore	35
Selective Hydrogenation of CO2 to Ethanol over Sodium-Modified Rhodium Nanoparticles Embedded in Zeolite Silicalite-1	35
Raman Spectral Probe on Size-Dependent Surface Optical Phonon Modes and Magnon Properties of NiO Nanoparticles	35
Modeling the Impact of Mesoporous Silica Microstructures on the Adsorption Hysteresis Loop	35
Controlling the Defect Density of Perovskite Films by MXene/SnO2 Hybrid Electron Transport Layers for Efficient and Stable Photovoltaics	35
Controlled Synthesis of Au Chiral Propellers from Seeded Growth of Au Nanoplates for Chiral Differentiation of Biomolecules	35
Oxygen Vacancy Regulation Strategy Promotes Electrocatalytic Nitrogen Fixation by Doping Bi into Ce-MOF-Derived CeO2 Nanorods	35
SERS Spectra of the Pesticide Chlorpyrifos Adsorbed on Silver Nanosurface: The Ag20 Cluster Model	35
Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy	35
0D–2D Fe2O3/Boron-Doped g-C3N4 S-Scheme Exciton Engineering for Photocatalytic H2O2 Production and Photo-Fenton Recalcitrant-Pollutant	34
Ag@MIL-101(Cr) Film Substrate with High SERS Enhancement Effect and Uniformity	34

The Potential of Zero Charge and the Electrochemical Interface Structure of Cu(111) in Alkaline Solutions	34
Insights into the Hydrogen Evolution Reaction on 2D Transition-Metal Dichalcogenides	34
Photosensitive Dielectric and Conductivity Relaxation in Lead-Free Cs3Bi2Cl9 Perovskite Single Crystals	34
Simple and Low-Cost Synthesis of Ba-Doped CuO Thin Films for Highly Efficient Solar Generation of Hydrogen	34
Computational Study of the Adsorption of NO2 on Monolayer MoS2	34
Electrocatalytic Ethanol Oxidation on Cobalt–Bismuth Nanoparticle-Decorated Reduced Graphene Oxide (Co–Bi@rGO): Reaction Pathway Investigation toward Direct Ethanol Fuel Cells	34
Ca Doping Effect on the Competition of NH3–SCR and NH3 Oxidation Reactions over Vanadium-Based Catalysts	34
Nickel-rich Nickel Manganese Cobalt (NMC622) Cathode Lithiation Mechanism and Extended Cycling Effects Using Operando X-ray Absorption Spectroscopy	34
Zinc Vacancy–Hydrogen Complexes as Major Defects in ZnO Nanowires Grown by Chemical Bath Deposition	34
High-Temperature Chemical Stability of Li1.4Al0.4Ti1.6(PO4)3 Solid Electrolyte with Various Cathode Materials for Solid-State Batteries	34
Insights on the Behavior of Imidazolium Ionic Liquids as Electrolytes in Carbon-Based Supercapacitors: An Applied Electrochemical Approach	34
Cation-Dependent Hot Carrier Cooling in the Lead-Free Bismuth Halide A3Bi2I9 (A = FA, MA, and Cs) Perovskite	34
Graphene-Based Dual-Metal Sites for Oxygen Reduction Reaction: A Theoretical Study	34
Tuning the Magnetic Properties of Hard–Soft SrFe12O19/CoFe2O4 Nanostructures via Composition/Interphase Coupling	34
Hydrogen Evolution Reaction over Single-Atom Catalysts Based on Metal Adatoms at Defected Graphene and h-BN	34
Luminescence Line Broadening of CdSe Nanoplatelets and Quantum Dots for Application in w-LEDs	34
Advances in Enhancing Luminescence of Atomically Precise Ag Nanoclusters	33
New Insight into the Characterization of Graphene Oxide and Reduced Graphene Oxide Monolayer Flakes on Si-Based Substrates by Optical Microscopy and Raman Spectroscopy	33
Iron-Modulated Three-Dimensional CoNiP Vertical Nanoarrays: An Exploratory Binder-Free Bifunctional Electrocatalyst for Efficient Overall Water Splitting	33
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials	33
Effect of Humidity and Impurities on the Electrochemical Window of Ionic Liquids and Its Implications for Electroanalysis	33
Nanostructures of Nafion Film at Platinum/Carbon Surface in Catalyst Layer of PEMFC: Molecular Dynamics Simulation Approach	33
Optimizing the Electronic Structure of BiOBr Nanosheets via Combined Ba Doping and Oxygen Vacancies for Promoted Photocatalysis	33
Establishment of the Potential of Zero Charge of Metals in Aqueous Solutions: Different Faces of Water Revealed by Ab Initio Molecular Dynamics Simulations	33
Tailoring Microwave Electromagnetic Responses in Ti3C2Tx MXene with Fe3O4 Nanoparticle Decoration via a Solvothermal Method	33
Metal-Free Phosphorus-Doped ZnIn2S4 Nanosheets for Enhanced Photocatalytic CO2 Reduction	33
Perfect Spin Filtering Effect on Fe3GeTe2-Based Van der Waals Magnetic Tunnel Junctions	33
Tuning the Chiral Morphology of Gold Nanoparticles with Oligomeric Gold–Glutathione Complexes	33
Enhancement of Raman Scattering and Exciton/Trion Photoluminescence of Monolayer and Few-Layer MoS2 by Ag Nanoprisms and Nanoparticles: Shape and Size Effects	33
Recent Advances of Catalysis in the Hydrogenation and Dehydrogenation of N-Heterocycles for Hydrogen Storage	33
ReaxFF Reactive Force Field Study of Polymerization of a Polymer Matrix in a Carbon Nanotube-Composite System	33
Bulk Assembly of Zero-Dimensional Organic Copper Bromide Hybrid with Bright Self-Trapped Exciton Emission and High Antiwater Stability	33
Computational Screening of MOFs and Zeolites for Direct Air Capture of Carbon Dioxide under Humid Conditions	33
Dual Excitonic Emission in Hybrid 2D Layered Tin Iodide Perovskites	33
Transition from Capacitive to Inductive Hysteresis: A Neuron-Style Model to Correlate I–V Curves to Impedances of Metal Halide Perovskites	33
Simulation of Potential-Dependent Activation Energies in Electrocatalysis: Mechanism of O–O Bond Formation on RuO2	33
Exfoliation of Quasi-Two-Dimensional Nanosheets of Metal Diborides	32
Apparent Ferromagnetism in Exfoliated Ultrathin Pyrite Sheets	32
Density Functional Theory Study and Photocatalytic Activity of ZnO/N-Doped TiO2 Heterojunctions	32
Carbonate Ion Crossover in Zero-Gap, KOH Anolyte CO2 Electrolysis	32
Theoretical Study of Selective Hydrogenation of CO2 to Methanol over Pt4/In2O3 Model Catalyst	32
Efficient Calculation of Small Molecule Binding in Metal–Organic Frameworks and Porous Organic Cages	32
Molecular Oxygen Activation at a Conducting Polymer: Electrochemical Oxygen Reduction Reaction at PEDOT Revisited, a Theoretical Study	32
Progress and Prospects of Solution-Processed Two-Dimensional Semiconductor Nanocrystals	32
Atomistic View of Laser Fragmentation of Gold Nanoparticles in a Liquid Environment	32
High-Quantum-Yield Upconverting Er3+/Yb3+-Organic–Inorganic Hybrid Dual Coatings for Real-Time Temperature Sensing and Photothermal Conversion	32
First-Principles Predictions of Janus MoSSe and WSSe for FET Applications	32
Enhanced Inorganic CsPbIBr2 Perovskite Film for a Sensitive and Rapid Response Self-Powered Photodetector	32
Mechanical Properties of a Single-Layer Diamane under Tension and Bending	32
Measurements of Entangled Two-Photon Absorption in Organic Molecules with CW-Pumped Type-I Spontaneous Parametric Down-Conversion	32
Probing the Reaction Zone of Nanolaminates at ∼μs Time and ∼μm Spatial Resolution	32
The Elusive Nature of Carbon Nanodot Fluorescence: An Unconventional Perspective	32
Hydrophilicity-Dependent Distinct Frictional Behaviors of Different Modified MXene Nanosheets	32
Does Confinement Enable Methane Hydrate Growth at Low Pressures? Insights from Molecular Dynamics Simulations	32
Trends in Carbon, Oxygen, and Nitrogen Core in the X-ray Absorption Spectroscopy of Carbon Nanomaterials: A Guide for the Perplexed	32
Machine-Learning-Based Prediction of Methane Adsorption Isotherms at Varied Temperatures for Experimental Adsorbents	31
Kinetic Modeling of Transient Electroluminescence Reveals TTA as an Efficiency-Limiting Process in Exciplex-Based TADF OLEDs	31
Single Metal Atom Catalyst Supported on g-C3N4 for Formic Acid Dehydrogenation: A Combining Density Functional Theory and Machine Learning Study	31
Synergistic Effects of Pt and Cd Codoping to Icosahedral Au13 Superatoms	31
New Pigeonholing Approach for Selection of Solvents Relevant to Lead Halide Perovskite Processing	31
Dual-Atom Doping Carbon Materials as Highly Efficient Electrocatalysts for Lithium–Sulfur Batteries: Bimetallic Cooperation Mechanism	31
Two-Component Design Strategy: Achieving Intense Organic Afterglow and Diverse Functions in Coronene-Matrix Systems	31
Nature of Point Defects in Single-Layer MoS2 Supported on Au(111)	31
Structure and Electronic Effects from Mn and Nb Co-doping for Low Band Gap BaTiO3 Ferroelectrics	31
Organic Gas Sensing Performance of the Borophene van der Waals Heterostructure	31
The Effect of Janus Asymmetry on Thermal Transport in SnSSe	31
The Role of H+- and Cu+-Sites for N2O Formation during NH3-SCR over Cu-CHA	31
Aggregation Behavior of Asphalt on the Natural Gas Hydrate Surface with Different Surfactant Coverages	31
Robust, Multi-Length-Scale, Machine Learning Potential for Ag–Au Bimetallic Alloys from Clusters to Bulk Materials	31
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	31
Discerning the Role of an A-Site Cation and X-Site Anion for Ion Conductivity Tuning in Hybrid Perovskites by Photoelectrochemical Impedance Spectroscopy	31
CsPbBr3 Nanocrystal Light-Emitting Diodes with Efficiency up to 13.4% Achieved by Careful Surface Engineering and Device Engineering	30
Polarization Mechanism Underlying Strongly Enhanced Dielectric Permittivity in Polymer Composites with Conductive Fillers	30
Role of Methyl Acetate in Highly Reproducible Efficient CsPbI3 Perovskite Quantum Dot Solar Cells	30
Improvement of the Resistive Switching Characteristics upon Halide Mixing in an All-Inorganic RbPbI3 Perovskite Polymer Composite Based Flexible Device	30
The Trans Axial Ligand Effect on Oxygen Reduction. Immobilization Method May Weaken Catalyst Design for Electrocatalytic Performance	30
Graphene–Carbon Black/CaCu3Ti4O12 Ternary Metacomposites toward a Tunable and Weakly ε-Negative Property at the Radio-Frequency Region	30
Lead Free Two-Dimensional Mixed Tin and Germanium Halide Perovskites for Photovoltaic Applications	30
Limited Ferromagnetic Interactions in Monolayers of MPS3 (M = Mn and Ni)	30
Spectral Clustering to Analyze the Hidden Events in Single-Molecule Break Junctions	30
Fast Electron Tomography for Nanomaterials	30
In Situ Synthesis of Ag/Ag2O on CeO2 for Boosting Electron Transfer in Photocatalytic Hydrogen Production	30
Quantum Defects in Fluorescent Carbon Nanotubes for Sensing and Mechanistic Studies	30
Lithium Palladium Hydride Promotes Chemical Looping Ammonia Synthesis Mediated by Lithium Imide and Hydride	30
Dual Role of Missing-Linker Defects Terminated by Acetate Ligands in a Zirconium-Based MOF in Promoting Photocatalytic Hydrogen Peroxide Production	30
Uncovering Structure–Property Relationships in Push–Pull Chromophores: A Promising Route to Large Hyperpolarizability and Two-Photon Absorption	30
It’s a Gas: Oxidative Dehydrogenation of Propane over Boron Nitride Catalysts	30
Controlled Two-Dimensional Ferromagnetism in 1T–CrTe2: The Role of Charge Density Wave and Strain	30
Singlet and Triplet Excited-State Dynamics of a Nonfullerene Electron Acceptor Y6	30
Tuning Schottky Barrier and Contact Type of Metal–Semiconductor in Ti3C2T2/MoS2 (T = F, O, OH) by Strain: A First-Principles Study	30
Physical Strategy to Determine Absolute Electrochemiluminescence Quantum Efficiencies of Coreactant Systems Using a Photon-Counting Photomultiplier Device	30
Is Disorder Beneficial in Perovskite-Sensitized Solid-State Upconversion? The Role of DBP Doping in Rubrene	30
Passivating Charged Defects with 1,6-Hexamethylenediamine To Realize Efficient and Stable Tin-Based Perovskite Solar Cells	30
NMR and Raman Scattering Studies of Temperature- and Pressure-Driven Phase Transitions in CH3NH2NH2PbCl3 Perovskite	30
Synthesis and CO2 Photoreduction of Lead-Free Cesium Bismuth Halide Perovskite Nanocrystals	30