Journal of Physical Chemistry C

Article	Citations
Phase Transition and Mechanical Properties of Scandium Diboride under High Pressure	397
Bromination-Enhanced Chiral Interactions for Triphenylamine on Au and Ag(111)	139
Thermal Stability of Ionic Compounds on Nanostructured Metal Catalysts: Conversion of Quaternary Ammonium to Amines on Gold Nanoparticles	120
Magnetostructural Correlations in a Layered Perovskite: K2CuF4 at Large Compression	110
Type II Germanium Clathrates from Zintl Phase Precursor Na4Ge4: Understanding Desodiation Processes and Sodium Migration Using First-Principles Calculations	89
Ab Initio Molecular Dynamics Simulation Study on Phosphorus/Boron Co-Doped Si Nanocrystals/SiO2 Core/Shell Structures	79
Computational Insights into Alloying and Confinement Effects on Promoted Activity and Selectivity of C2 Oxygenate over Rh-Based Catalysts	78
Theoretical Prediction and High-Pressure Synthesis of New LISICON-Type Solid-State Electrolyte Li2.75[B0.625P0.125S0.25]O3.375	77
Tip-Induced Dissociation of Diethyl Ether on Si(001)─Influence of Molecular Structure on Final Reaction Products	77
Direct Visualization of Aluminum Particle Wetting on Carbon Using In Situ Laser Heating TEM	76
Growth and Electronic Properties of SnSe2 Films on Reconstructed, (111)-Oriented SrTiO3 Substrates	74
Vibration Promotes Mass Transfer of Products in Photoelectrochemical Water Splitting by Enhancing Forced Convection	73
Surface Energies of LaMnO3 High-Index Surfaces Obtained from Density-Functional Theory	73
Issue Editorial Masthead	72
Vacancy-Driven Sizable Shift Current in Centrosymmetric Materials	71
Charge Transfer Dynamics of Core–Shell Quantum Dots and MoS2 Nanocomposites Using Transient Absorption Spectroscopy	70
On-Surface Synthesis of Three-Dimensional Graphene Nanoribbons via a [2 + 2] Cycloaddition Reaction and Their Planarization	64
Issue Publication Information	64
Depolarization via Coherently Activated Plasmonic Metasurfaces	64
Issue Editorial Masthead	63
Issue Editorial Masthead	63
Issue Publication Information	62
Issue Publication Information	62
Issue Publication Information	61
Issue Publication Information	60

Issue Publication Information	60
Issue Editorial Masthead	60
The Roles of Oxygen Vacancies in Boosting Oxygen Evolution Reaction over Perovskite CeFeO 3−δ /NF Catalysts: An Experimental and Theoretical Investig	59
Emergence of New Nitrogen-Rich Compounds in Lead–Nitrogen Phase Diagram Under Pressure	59
Screening of Ionic Liquid-Based Electrolytes for Al Dual-Ion Batteries: Thermodynamic Cycle and Combined MD-DFT Approaches	56
On-Surface Alcohol Formation from a Carbene Precursor	56
Waveguide-Based Spectroelectrochemical Characterization of Band Edge Energies in Submonolayers of CdSe Quantum Dots Tethered to Indium–Tin Oxide Electrodes	55
Impact of Polarization Effect on Exciton Binding Energies and Charge Transport for the Crystals of Chlorinated ITIC Derivatives	54
Cellulose Nanofibers Impart Melt Resistance to Ice through Optical and Thermal Mechanisms	53
Correction to “Surface Plasmon-Coupled Directional Emission Enhanced Raman Scattering Based on Waveguide Coupling Surface Plasmon Resonance Configuration”	53
Toward Instant Prediction of Metal Adatom Diffusion Barriers for Understanding of Sintering and Catalyst Durability	52
Stability and Diffusion of Oxygen Vacancies in LaNiO 3 : A DMFT Study	52
Correction to “Energies of Formation Reactions Measured for Adsorbates on Late Transition Metal Surfaces”	51
High Internal Phase Emulsion Template Strategy for the Preparation of UiO-66-NH2 Foam Photocatalysts: A Pseudomonas putida Intimately Coupled UiO-66-NH2 System for Efficie	50
Pseudohalide Anion Surface Engineering for Mixed Cation Perovskite Nanocrystals	50
Identifying Useful Nanocrystal Morphologies Using Advanced Sampling Techniques and Machine Learning	49
Achieving a Practical High-Voltage Lithium Metal Battery by the Use of a High-Concentration Fluorinated Carbonate Electrolyte	49
An Insight into the Mechanism of Alkyl Side-Chain Engineering of BTCN on Its Photovoltaic Properties─A Theoretical Study	48
Electrooxidation of CO on Platinum Nanoparticles Supported on NiO Thin Films	48
X-ray Absorption Fine Structure Spectroscopic Interrogation of Catalytic Reaction Kinetics from the Substrate Perspective	47
Pressure-Stimulated Photopolymerization in Fullerene Layers of a Molecular Complex [{Zn(Et2dtc)}2·DABCO]·C60·(DABCO)2	47
Stability and Excitonic Properties of Ag 2 S Single Layer from First-Principles Calculations	47
Decoupling Chemically Active 2D Molecular Overlayers from the Substrate: Chlorophenyl Porphyrins on Graphene/Ir(111)	47
Graphene-Supported Single-Atom Ni as High-Performance Catalyst for Direct Methane-to-Methanol Conversion	46
Afterglow and Thermally Stimulated Luminescence of Interface-Related States in InP/ZnS Quantum Dots	46
Controllable Synthesis of Large-Area MoSe2 Monolayer Films and Bilayer Crystals	46
Vanadium Doping Enables Partially Disordered Li-Rich Spinel Cathodes with High Reversible Capacity and Low Migration Barriers	45
Heterogeneous Engineering of Ni–Co–S Nanosheets for Efficient Urea Electrolysis	45
Why Do We Have Dual Emission in Two-Dimensional Hybrid Perovskites?	44
A Theoretical Approach to Surface Structural Evolution at the Nanoparticle Scale: A Case Study of χ-Fe 5 C 2	44
Mechanistic Insights into the Reductive Amination of 5-HMF to BAMF on the Ni Catalyst and Design of Bimetallic Alloys	44
Exploring Superradiance Effects of Molecular Emitters Coupled with Cavity Photons and Plasmon Polaritons: A Perspective from Macroscopic Quantum Electrodynamics	43
Exploration of a New α-T3 System for Electronic Heat Capacity and Pauli Magnetic Susceptibility Properties via the Kane-Mele and Hubbard Model	43
Efficient Descriptor for Designing High-Performance Cu-Based Catalysts for the Hydrogenation of Dimethyl Oxalate to Methyl Glycolate	43
Modulated Electronic and Thermal Transport Properties in Cu-Based Diamond-like Chalcogenides by Point Defect Engineering	42
Composition and Illumination-Driven Phase Segregation in Hybrid Perovskite Cs2AgBi(Br1–xIx)6	42
Charge Redistribution in Mg-Doped p-Type MoS2/GaN Photodetectors	42
Chiroptical Effect in Charge Transfer Processes in Chiral Carbon Dot-Doped Biopolymers: Application Toward Developing Chiral Electrodes	42
Hydrophobic Nanosized H-Beta Catalysis for Biomass Furanic Compound Valorization	42
Single- and Multilayers of Alkali Metal Atoms inside Graphene/MoS2 Heterostructures: A Systematic First-Principles Study	42
Feasibility of Methane Oxidation on SSZ-13 Bridged Pd2Ox Sites: A Theoretical Study	42
Watching Excitations in CsPbBr3 Perovskite Nanocrystals Undergo Ultrafast Relaxation to Their Emitting State	41
Nonlinear Mechanical Properties of Polymorphic CsPbI3 Perovskite from Reactive Molecular Dynamics Simulations	41
Dynamic Diastereomerism on Chiral Surfaces	41
Distinguishable Separation of Artificial Electron–Oxygen Vacancy Pairs Using Heterovalent Doping Effect for Ferroelectric Photovoltaics	41
New Platinum Bimetallic Surfaces, M/Pt(111) and Pt/M/Pt(111) (M = Mo, Zn, and Co), for Furfural Adsorption	41
Tailoring the Wetting Behavior of Self-Assembled Monolayers by Surface Charge	40
Size Effects in the Verwey Transition of Nanometer-Thick Micrometer-Wide Magnetite Crystals	40
Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS2 and WS2 Monolayers	40
Mechanical Properties and Temperature and Pressure Effects on the Crystal Structure of (2S,3S,4R)-2,3,4-(Trinitratomethyl)-1-nitroazetidine (TMNA) by Single-Crystal X-ray Diffractometry and Density Fu	40

Determination of the Kinetic Rate Law of Rare-Earth Solvent Extraction Using Interferometry: The Case of Samarium(III)	40
Electron Coupling between the Linear-Conjugated Polymer Nanocluster and TiO2 Nanoparticle Enables a Quantum Leap for Visible Light-Driven Hydrogen Evolution	40
Role of Solid–Water Interaction and Film Thickness on Nanoscale Water Evaporation Using Molecular Dynamics	40
Unveiling the Mechanisms of Photoluminescence Quantum Yield Surge in Cs2AgInCl6 Nanocrystals Triggered by ∼0.8% Bi3+ Doping	40
Controlled Growth of a Highly Energetic, Less Electron-Dense Tetrahedral Fe3+ Phase on the Surface of α-Fe2O3 Nanoparticles toward Enhanced Optical, Magnetic, and Supe	40
Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites	39
Microstructure, Transport, and Mechanics of Compacted Clay Simulated at the 0.1 μm Scale (1400 Smectite Clay Particles) Using a Coarse-Grained Model with Explicit Counterions	39
Halogen-Regulated Atomically Thin Two-Dimensional Organic–Inorganic Perovskites with Tunable Fluorescence Emission	39
Hydration and Applied Electric Field Effects on the Structure, Dynamics, and Conductivity of Aqueous Electrolytes at the (104) Calcite Interface	39
Evolution of the Structural, Topological, and Superconducting Properties of Tellurium under Pressure	39
Polymorphous meso-Dicyanovinyl-Substituted Tetraphenylethylene Derivative Showing Distinguishing Two-Color Emission and Ultrahigh-Contrast Mechano-Responsive Luminescence Behavior	38
Formation of BN-Networks from BN-HBP on Copper Substrates	38
Optical Characterizations for Broadening Emissions from Doping of the Two-Dimensional Tin–Lead Perovskite Films	38
State of the Surface During CO Hydrogenation over Ni(111) and Ni(211) Probed by Operando X-ray Photoelectron Spectroscopy	38
Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3 Perovskites	38
Toward an Improved Method for Determining the Hamaker Constant of Solid Materials Using Atomic Force Microscopy. III: Experimental Validation of a New Approach-to-Contact Method	38
Facet-Dependent Catalytic Selectivity for Electrochemical Reduction of CO on Copper	38
Modeling of Close-Packed Patterns of Intact and Partially Deprotonated TPTC Molecules	38
Radiative and Non-Radiative Exciton Recombination Processes in a Chemical Vapor Deposition-Grown MoSe2 Film	38
Multilayer Coaxial TiO2/BaTiO3/WO3 Nanorod Arrays with Enhanced Photoelectrochemical Properties under the Ferroelectric Polarization Effect	37
Low Conductivity Polyaniline–Gold Nanocomposite via Interfacial Polymerization: Efficient Humidity Sensing by Thin Films and Mechanistic Insights through In Situ Experiments	37
Visible-Light-Driven Desulfurization Reaction Using Partially Oxidized TiN Nanoparticles as Photocatalysts	37
Structure–Property Correlations in Aqueous Binary Na+/K+–CH3COO– Highly Concentrated Electrolytes	37
Electrospun CuO–Fe3O4 Tube Catalyst for the Decomposition of Organic Matter via an Accelerated Heterogeneous Fenton-like Process	37
Coupling Dichroism in Strong-Coupled Chiral Molecule-Plasmon Nanoparticle System	37
Hydrogen-Atom-Assisted Tautomerization on Solid Surfaces─The Case Study of Thioacetamide	37
Unusual Photophysical Properties of Porphyrin-Based Supramolecular Polymers Unveiled: The Role of Metal Ligands and Side Group Amide Connectivity	36
Electrochemical Current Amplification of Bisphenol A in the Presence of Magnetite Nanoparticles	36
Comment on “Orthorhombic Symmetry and Anisotropic Properties of Rutile TiO2”	36
Engineering Nanoparticle Surface Amphiphilicity: An Integrated Computational and Laser Desorption Ionization Study of Controlled Ligand Self-Assembly	36
Enhanced Stability and Catalytic Performance of Iron–Manganese Dual-Atoms Supported on Graphene Edges for Oxygen Reduction Reaction	36
Electronic Properties of Graphynes Based on a 4, 6, 12-Archimedean Tiling	36
Quantum Chemical Investigation of the Interaction of Sodium Ions with Hard Carbon-Based Systems	36
Bond-Valence-Sum-Modified 3d Ionic Electronegativity in LaMO 3 (M = Sc - Ni) Perovskite Oxides	36
Optical Properties of Two-Dimensional Organic–Inorganic Perovskite Material (C 12 H 25 NH	36
Effect of Ions on the Aqueous-Phase Adsorption of Small Aromatic Organics on Silver	36
Atomic Pathways of Ammonia-Driven Fe 3 O 4 Reduction Revealed by First-Principles Calculations	36
Charge Transfer in the P(g42T-T):BBL Organic Polymer Heterojunction Measured with Core-Hole Clock Spectroscopy	36
Efficient Photocatalytic CO 2 Reduction to Syngas with Tunable Ratios Enabled by an S-Scheme TiO 2	36
How Artificial Intelligence Can Advance Electrochemical Science and Identify Water Molecule Orientation on Platinum Electrodes	35
Adsorption of NOx Molecules on the Hematite Surface: Isolated Versus Paired	35
Issue Publication Information	35
Protonation of Pendant Pyridine Substituents in an Iron Porphyrin Hangman Complex: Influence on Spectral Visibility and Electrocatalysis	35
Issue Editorial Masthead	35
Deoxygenation-Promoted Aggregation-Induced TADF–RTP Dual Emission for High-Contrast Channel-Selectable Hypoxia Probing	35
C═C Bond Hydrogenation vs C–O Bond Hydrogenolysis of Furfuryl Alcohol on Ru: A DFT Study	34
In Situ Neutron Diffraction of Zn-MOF-74 Reveals Nanoconfinement-Induced Effects on Adsorbed Propene	34
Two-Step Synthesis of Large Gold–Silver Alloy Nanoparticles via the Combination of Seeded Growth and Citrate Co-reduction	34
Hole-Dominated Altermagnetic RuO2 Thin Films Prepared by Reactive Sputtering	34
A Quantum Virtual Laboratory for Exploring Semiconductor Heterostructures Unlocks the Photocatalytic Destruction Potential of Per- and Polyfluoroalkyl Substances	34
Machine Learning-Predicted Ternary Molybdenum Chalcogenophosphides for High-Efficiency Hydrogen Evolution Catalysis	34
Interfacial Charge Transfer and Substrate-Dependent Oxidation States Drive SMSI Enhancements in Cobalt Oxide Films	34
Local Impedance Measurement by Direct Detection of Oscillating Electrostatic Potential Using Kelvin Probe Force Microscopy	34
Surface Plasmon-Coupled Directional Emission Enhanced Raman Scattering Based on Waveguide Coupling Surface Plasmon Resonance Configuration	34
Persistent Superconductivity and Enhanced Photovoltaic Effect in YBCO Thin Films under Laser Irradiation	34
Clean Electrospray Deposition of Porphyrin Molecules and Polyethylene Glycol Chains onto a Au(100) Surface	34
Choice of Electrolyte Impacts the Selectivity of Proton-Coupled Electrochemical Reactions on Hydrogen Titanate	34
Highly Efficient Triplet–Triplet Annihilation Upconversion with a Thermally Activated Delayed Fluorescence Molecule as Triplet Photosensitizer	34
Spin–Spin Interaction in ε-VOPO4 through Doping Light Elements	33
Ab Initio Thermodynamics of Copper Immunity in Deep Geological Repositories	33
Te4+-Doping Rubidium Scandium Halide Perovskite Single Crystals Enabling Optical Thermometry	33
Two-Stage Growth for Highly Ordered Epitaxial C60 Films on Au(111)	33
Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral	33
Photoexcited Ultrafast Order–Disorder Dynamics in Monolayer SnSe: Dominant Role of Anharmonic Phonon Modes	33
IR Spectroscopy of Carboxylate-Passivated Semiconducting Nanocrystals: Simulation and Experiment	33
Stability and Phase Transformations in Au–Pd Nanoparticles Studied by Means of Combined Monte Carlo and Molecular Dynamics Simulations	33
Probing the Role of Acid Site Distribution on the Water Structure in Aluminosilicate Zeolites: Insights from Molecular Dynamics	33
Stability of Iridium Single Atoms on Fe3O4(001) in the mbar Pressure Range	33
Visualization of Pressure-Induced Phonon–Phonon Mode Coupling and Anharmonicity Analysis in A 3 (VO	33
Grand Canonical DFT Investigation of the CO2RR and HER Reaction Mechanisms on MoTe2 Edges	33
Deep Learning Models to Identify Common Phases across Material Systems from X-ray Diffraction	33
Tunable Oxygen Vacancies and Porous Structure of Ta-Doped Tungsten Oxide Films for Enhanced Electrochromic Properties	33
Does F4TCNQ Adsorption on Cu(111) Form a 2D-MOF?	32
Pivotal Role of Intersite Hubbard Interactions in Fe-Doped α-MnO2	32
Arsenic Oxidation Kinetics with Plasmonic Nanocatalysts	32
Femtosecond Laser-Induced Desorption of Hydrogen Molecules from Ru(0001): A Systematic Study Based on Machine-Learned Potentials	32
Two-Dimensional Central Fused Ring Enabled High-Performance Quad-Rotor-Shaped Nonfullerene Acceptor Materials	32
Structural Evolution of Copper-Oxo Sites in Zeolites upon the Reaction with Methane Investigated by Means of Cu K-edge X-ray Absorption Spectroscopy	32
Resonance-Assisted Hydrogen Bonding Mediated Synergy between Energy and Safety in Energetic Materials: Experimental Inspiration and Mechanism Research	32
NiVCl 2 Monolayer: A Robust Topological Nodal Loop Semimetal with a High Curie Temperature	32

Experimental Analysis of the Elastic Moduli of Atomically Thin Transition Metal Dichalcogenides	32
Crowding-Out Effect in Synergistic C–C Coupling on PdNi Alloy Nanoparticles Studied by Surface-Enhanced Raman Spectroscopy	32
Descriptor-Driven Prediction of Adsorption Energy of Oxygenates on Metal Dioxide Surfaces	32
On the Local Structure in Ordered and Disordered Closo-hydroborate Solid Electrolytes	32
On the Origin of Ion Intercalation and Conductivity Enhancement in Sn-Doped V2O5 Cathodes of Li-Ion Batteries: A Computational Study	32
Band Offsets at β/γ-Ga 2 O 3 Interface: A Comprehensive Ab Initio and Experimental Investigation	32
Superatom Molecular Orbitals of Li@C60: Effects of the Li Position and the Substrate	32
Highly Tunable Photoluminescence of Wide-Bandgap Lead-Chloride Perovskite Single Crystal Based on Ion Beam Irradiation	32
Highly Efficient CO Oxidation on Atomically Thin Pt Plates Supported on Irreducible Si 7 × 7	31
Rational Assembly of the NiMoP/NiCoZn Heterostructure Electrocatalyst for the Hydrogen Evolution Reaction at High Current Densities	31
Impact of Zn Alloying to CsZnxPb1–xI3 Charge Carrier Diffusion Coefficient, Diffusion Length, and Recombination Parameters	31
Nonclassical Nucleation of Zinc Oxide from a Physically Motivated Machine-Learning Approach	31
Zero-Valent Iron Inside Carbon Nanocube as an Efficient Peroxymonosulfate Activator toward Catalytic Oxidation of Organic Pollutants	31
Surface Structures of CsSnI3(001) Films on Au(111)	31
Dimethylaniline-Tetracyanobutadiene and Dimethylaniline-Extended-Tetracyanobutadiene Functionalized BODIPYs Witnessing Ultrafast Charge Transfer	31
Impact of Nanostructurization of the Pore Walls on the Dynamics of a Series of Phenyl Alcohols Incorporated within Nanoporous Aluminum Oxide Templates	31
Issue Editorial Masthead	31
In-Situ Growth and Oxidation of Cu Nanoparticles on Rutile TiO 2 (110)	31
Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?	31
Inquisitive Optical and Electro-Optical Attributes of Azo-Dye Dispersed Nematic Liquid Crystal for Applications in Wavelength-Tunable Optical Filters	31
77Se Solid-State NMR Investigation of Selenium Chemical Shift Tensors of Chalcogen Bonds in Selenadiazole Cocrystals	31
Atomistic Theory of Hot-Carrier Relaxation in Large Plasmonic Nanoparticles	31
Autobiography of Jacek Lipkowski	31
Electronic Factors Influencing the Thermodynamics of the Oxygen Evolution Reaction in Layered Double Hydroxides with Oxygen Vacancies	30
Ligand Substitutional Effects on Molecular Dynamics and Broadband Near-White Emission in 2D 2-Fluoroethylammonium Cadmium Chlorobromide	30
Mesoscale Machine Learning Analytics for Electrode Property Estimation	30
Optimizing Electronic Interactions in Terbium–Dysprosium-Codoped Calcium Fluoride Nanoparticles to Enhance Near-Monochromatic Green and Generate Broadband Yellow Emission	30
Stability of Single-Atom Centers of MXenes under Anodic Polarization Conditions	30
Novel Tri-rutile Ni0.5Ti0.5TaO4 Microwave Dielectric Ceramics: Crystal Structure Chemistry, Raman Vibration Mode, and Chemical Bond Characteristic In-Depth Studies	30
Computational Insight into Selective Hydrogenolysis over Monomeric MoOx-Modified Rh Catalysts in the Aqueous Phase	30
Effect of the Interfacial Potential on Elementary Exciton Processes in InP-Based Core/Shell Quantum Dots	30
Disentangling Chemical Interaction and Electric Fields at Electrochemical Interfaces	30
Mechanism of Solvent Engineering for Controlling the Room-Temperature Crystallization Kinetics of MAPbI3 Perovskite Polycrystals	30
Photocatalytic Water Splitting of Al-Doped RhxCr2–xO3/SrTiO3 Synthesized by Flux Method: Elucidating the Role of Different Molten Salts	30
Hydration Accelerates Radiative and Nonradiative Recombination in Small TiO2 Nanoclusters	30
Computational Insights into Two-Dimensional M3(HHTP)2 Metal–Organic Frameworks as ORR/OER Electrocatalysts	30
Elucidation of a Metastable p(2 × 1) O Atom Adlayer Structure on Cu(111)	30
Nature of Spin-Glass Behavior of Cobalt-Doped Iron Disulfide Nanospheres Using the Monte Carlo Method	30
Efficient Red TADF Emitter and Diode in High Doping Concentration via Steric Hindrance Engineering with Phosphine Oxide	30
Comparative Study of Experiments and Calculations on the Guest Molecules’ Escaping Mechanism of CL-20-Based Host–Guest Energetic Materials	30
Role of Fluxionality and Metastable Isomers in the ORR Activity: A Case Study	30
Structure of Water under Confinement in Periodic Mesoporous Organosilicas Investigated by X-ray Scattering	30
Molecular Dynamics Simulation of Interfacial Structure and Thermal Resistance between Organic-Modified Metal Oxides and Polypropylene	29
Steering the Interplay between Hydrogen and Coordination Bonds in Surface-Confined Molecular Assemblies	29
Machine Learning, Density Functional Theory, and Experiments to Understand the Photocatalytic Reduction of CO2 on CuPt/TiO2	29
Corrosion of Electrochemical Energy Materials: Stability Analyses Beyond Pourbaix Diagrams	29
Surface Organometallic Chemistry as a Versatile Strategy for Synthesizing Supported Bimetallic Cluster Catalysts	29
Integer Charge Transfer Model–PTCDA on MgO(001)/Ag(001) Probing the Transition from Single to Double Integer Charge Transfer	29
Ultrasensitive Refractive Index Sensing Based on Hybrid High-Q Metasurfaces	29
Effect of Ligands and Their Removal on the Au Nanoparticle-Catalyzed Reduction of 4-Nitrophenol	29
Direct Laser Patterning of Polymeric Structures Containing Gold Nanoparticles and Demonstration of Its Nonlinear Optical Effect	29
Robust Ohmic Contact in Monolayer ZrI2 Coupled with Cold Metal	29
Surface Basic Site Effect on Boron-Promoted Platinum Catalysts for Dry Reforming of Methane	29
Understanding Surface Properties in CeO 2 Catalysts for the Synthesis of Dimethyl Carbonate: A Combined In Situ IR and NEXAFS Study	29
A Study on the Structure, Electronic Structure, and Mechanical Properties of Three ZrO2/CeO2 Interfaces	29
Chemical Vapor Deposition of Pyridinic-Nitrogen-Dominated Graphene Model Electrocatalysts and in Situ Raman Spectroscopic Evidence on Their Active Sites for Oxygen Reduction Reaction	29
Ethanothermal Synthesis of Octahedral-Shaped Doped Mn2O3 Single Crystals as a Precursor for LiMn2O4 Spinel Cathodes in Lithium-Ion Batteries	29
Case Study on Exciton-Vibrational Coupling in Molecular Bifluorene Crystals: The Role of Torsional Disorder	29
Improved Photocatalytic O2 Evolution on a Sillén–Aurivillius Perovskite Oxychloride Bi6NbWO14Cl by Rh2O3 Additives and Surface Modifications	29
Tuning Preferential Molecular Adsorption and Self-Assembled Molecular Network Formation at the Liquid–Solid Interface: The Impact of Annealing and Confinement	29
Ab Initio Insights into Charge Localization in Bismuth Oxyhalides BiOX (X = F, Cl, Br, I)	29
Predicting Interfacial Thermal Conductance and Thermal Conductivity across Multilayer TiS2/MoS2 van der Waals Heterostructures Using Moment Tensor Potentials	29
Orthogonal Self-Assembly of Functional Molecules on Surfaces: Theoretical Modeling of Two-in-One Building Blocks	29
Atomistic-Scale Simulations of the High-Temperature Chemistry of Si/C/O/H-Based Polymers and Their Conversion to Si/C Solid Materials	28
Measuring and Enhancing the Ionic Conductivity of Chloroaluminate Electrolytes for Al-Ion Batteries	28
Switching the Solid-State Emission of Organic Crystals through Coformer Choice and Vapochromism	28
In Situ/Operando Spectroscopic Techniques for Nonaqueous Lithium-Based Batteries	28
Flow Assurance of Hydrate Risk in Natural Gas/Oil Transportation: State-of-the-Art and Future Challenges	28
Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles	28
Orthorhombic Structures as Inorganic Halide Perovskite Models for High-Throughput DFT Investigations	28
Understanding SERS Spectral Shape Variability through Substrate Optics, Molecular Orientation, and Unsupervised Clustering	28
Low-Temperature Electron Spin Resonance Study of MnPS3 Antiferromagnetic Single Crystal	28
Pr-Doping Effect on Spin Switching in Nd0.8Pr0.2FeO3 Single Crystal	28
In Situ Evaluation of Perovskite Solar Cells after 8 MeV Proton Irradiation at Low Temperatures	28
Role of Water Solvation on the Key Intermediates Catalyzing Oxygen Evolution on RuO2	28
Photovoltaic Effect and Photocarrier Dynamics in Mn-Doped BaTiO 3 Ferroelectric Single Crystals	28
The hBN Defects Database: A Theoretical Compilation of Color Centers in Hexagonal Boron Nitride	28
Revealing the Dynamic Evolution and Reactivity of Oxygen Species over Cu-Exchanged Zeolites: Insights from In Situ Multiwavelength Raman Spectroscopy	28
Role of Electrode Polarization in the Electron Transport Chirality-Induced Spin-Selectivity Effect	28
Structure and Behavior of Oxide-Coated Aluminum in Contact with Acidic and Alkaline Aqueous Solutions─A Reactive Molecular Dynamics Simulation Study	28
Temperature Dependence of Photocatalytic Water Splitting under Visible Light Irradiation over Ir- and Sb-Codoped SrTiO3:Al	28
Ab Initio Insights into the Surface Passivation-Driven Moisture Resistance in CsSnI3 Perovskites	28
Facile Synthesis of Trimetallic Hexoctahedral Au@PdPt Nanoparticles for Electrocatalytic Oxidation of Methanol	28
Selective Tandem CO2-to-C2+ Alcohol Conversion at a Single-Crystal Au/Cu Bimetallic Interface	28
Comprehensive Study of Transient Mass Transport to Platinum Interdigitated Electrode Arrays to Perform Electrochemical pH Adjustment: Experimental and Numerical	28
Quantum-Mechanically Enhanced Water Flow in Subnanometer Carbon Nanotubes	28
Methanol Synthesis Over PdIn, In2O3, and CuZn From First-Principles Microkinetics: Similarities and Differences	28
Metal–Support Electronic Coupling in Re 2 /NiO Enables Early N≡N Bond Cleavage and Dissociative N 2	28
Raman Mapping as a Tool for Evaluating I2 and I3– Diffusion Over Single-Crystal UiO-67_NH2(M) (M = Zr, Zr/Hf, or Hf)	28
Energy Transfer for Leaky Surface Plasmon Polaritons in Gold Nanostripes	28
Structural Characterization of Mn3O4(001) Thin Films and Their Interaction with CO	28
Reconstructions on Disordered Surface Alloys: Strain-Minimizing First Principles Treatments for Heterogeneous Catalysis	27
Investigation of SERS Frequency Fluctuations Relevant to Sensing and Catalysis	27
Mechanism Exploration of Black Phosphorus Quantum Dots for Hydrogen Peroxide Modulation in Tumor Microenvironments	27
Do the Lattice Oxygen and Oxide Path Mechanisms Operate in the Oxygen Evolution Reaction under Working Conditions?	27