Journal of Physical Chemistry C

Article	Citations
Correction to “J–V Decoupling: Independent Control over Current and Potential in Electrocatalysis”	194
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Spectral Red Shift of Cs4Mn(Bi1–xInx)2Cl12 Layered Double Perovskite by Adjusting the Microstructure of the [MnCl6]	159
Hydration Structure of Diamondoids from Reactive Force Fields	110
Incident Angle Dependence of Raman Scattering for Distinct Vibrational Modes Enhanced by Surface Plasmon Resonance Excited on a Silver Thin Film	94
Structure and Activity of Potential-Dependent Pt(110) Surface Phases Revealed from Machine-Learning Atomic Simulation	89
Issue Editorial Masthead	83
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Autobiography of Michael R. Berman: A Program Manager’s Journey	80
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Hydration Accelerates Radiative and Nonradiative Recombination in Small TiO2 Nanoclusters	69
Optical Properties of Phenylthiolate-Capped CdS Nanoparticles	69
Issue Editorial Masthead	67
Kinetic Understanding of Metal Ions Doping in Enhancing the Electrocatalytic Ethanol Oxidation Performance of Nickel Hydroxides	66
From the Fermi Golden Rule to Open Quantum Systems: Basic Concepts on Non-radiative Rates	65
Surface-Enhanced Raman Spectroscopy at the Interface between Drug Discovery and Personalized Medicine	62
Metallic-Substrate-Induced Renormalization of Quasiparticle Band Gaps and Excitonic Effects in Biphenylene Nanoribbons	62
Chemically Stable Group IV–V Transition Metal Carbide Thin Films in Hydrogen Radical Environments	62
Pseudo Two-Dimensional Model for the Design of Fast-Charging Lithium-Ion Battery Electrodes	62
Charge Accumulation Dynamics in Mid-Gap States of Nanocrystals with a Photoresponse Modulation	62

Toward a Procedure for the Template Free Growth of Te Nanowires Across an Insulator by Electrodeposition	60
Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia	59
Investigating Energy-Transfer Interactions in Perovskite Quantum Dot–Dye Assemblies	59
Orthorhombic Structures as Inorganic Halide Perovskite Models for High-Throughput DFT Investigations	59
Application of Advanced Characterization Techniques for Lithium Iron Phosphate: Paving the Way for an In-Depth Understanding of Operation and Fading Mechanisms	57
Correction to “Modeling the Gouy–Chapman Diffuse Capacitance with Attractive Ion–Surface Interaction”	57
Charge-Related Spectral Shift of Localized Surface Plasmon Resonance in Silver Nanoplates Induced by Deprotonation and Complexation of Surface Carboxyl Groups with Metal Cations	57
Hydrogen-Atom-Assisted Tautomerization on Solid Surfaces─The Case Study of Thioacetamide	56
Theoretical Insights into the Electrochemical Stability of Pt-Based Intermetallic Compounds	56
Surface and Interface Reactivity of Au Nanoparticles Supported on Rutile-TiO2(110) toward H2O, O2, CO, and CO2	55
Electron Transport in Soft-Crystalline Thin Films of Perylene Diimide Substituted with Swallow-Tail Terminal Alkyl Chains	55
Generation-Dependent Intramolecular Charge Transfer Excited-State Dynamics in Thermally Activated Delayed Fluorescence Carbazole Dendrimers	53
C═C Bond Hydrogenation vs C–O Bond Hydrogenolysis of Furfuryl Alcohol on Ru: A DFT Study	53
Strong Quantized Electron–Phonon Coupling Induced by the Unique LA Phonon Mode in 2D Kramers Semimetal InTe	52
Catalyst Screening and Mechanism Elucidation of Two-Dimensional Transition Metal Coordinated Porphyrin-Analogue Materials for Nitrogen Fixation	52
Radical Intermediates in Photocatalytic Activation of Carboxylic Acids: A Spin Trapping Study	52
Atomic-Scale Visualization of Surface Segregation and Ordering of Pt in a Dilute Cu(Pt) Alloy under a Hydrogen Atmosphere	52
Large-Area Black Phosphorus by Chemical Vapor Transport for Vertical and Lateral Memristor Devices	51
Molecular Design of Two-Dimensional Antiaromatic Covalent Organic Frameworks for Solar-Driven Overall Water Splitting	51
Optimizing Electronic Interactions in Terbium–Dysprosium-Codoped Calcium Fluoride Nanoparticles to Enhance Near-Monochromatic Green and Generate Broadband Yellow Emission	50
Cost-Effective Strategy of Enhancing Machine Learning Potentials by Transfer Learning from a Multicomponent Data Set on ænet-PyTorch	50
Sensitization-Initiated Electron Transfer Mechanism in Photoredox Catalysis Using a Ru-Py Dyad as a Dual Sensitizer and Reductant	50
Luminescent Erbium-Based Nanoparticles Synthesized by Pulsed Laser Ablation in Liquid	50
Linker-Symmetry-Controlled Carrier Band Inversion in Triarylmethyl Radical (TAM)-Biphenylene Networks	50
Localized Nanoscale Formation of Vanadyl Porphyrin 2D MOF Nanosheets and Their Optimal Coupling to Lumped Element Superconducting Resonators	50
Generalized Evaluation of the Effect of SO2 Adsorption-Modulated d-π* Back-Donation Activation on Transition Metals	49
Strain-Induced Magnetic and Electronic Transitions in Prussian Blue Analogues: A First-Principles Study	49
Influence of Exciton Diffusivity and Nanocrystal Size on Carrier Dynamics in CsPbBr3 Perovskites	49
Issue Publication Information	48
Unexpected Structures and Properties in a Rare Composition Ratio Two-Dimensional Iron Boride FeB7	48
Emergence of Different Replica Dirac Cones and Intra- and Intervalley Scatterings in Short-Wavelength Graphene Superlattices Modulated by an Atomic-Scale Sharp Potential	48
Layer Dependence of Thermally Induced Quantum Confinement and Higher Order Phonon Scattering for Thermal Transport in CVD-Grown Triangular MoS2	47
Unraveling the Enhanced N2 Activity on CuNi Alloy Catalysts for Ammonia Production: Experiments, DFT, and Statistical Analysis	46
Adsorption of a MoSe2-Based Sensor for Fluorocarbon Gas Decomposition Products in Gas-Insulated Switchgear: A First Principles Analysis	46
Metal-Free Z-Scheme aza-CMP/C2N Heterostructure to Facilitate Photocatalytic CO2 Reduction: A Computational Study	46
Coherent Acoustic Vibrational Spectrum of Single and Coupled Nanoresonators	46
Room-Temperature Preparation of All-Solid-State Lithium Batteries Using TiO2 Anodes and Oxide Electrolytes	46
Factors Controlling the Photochemical Two-Electron Water Oxidation Initiated By One-Electron in the Molecular Catalyst Sensitized System for Artificial Photosynthesis	46
Experimental and Theoretical Investigation of Metal–Support Interactions in Metal-Oxide-Supported Rhenium Materials	45
Phase Equilibria and Spectroscopic Identification of Structure II Hydrates with New Hydrate-Forming Agents (Cyclopropylamine and Cyclopentylamine)	45
Cations Mediate Lithium Polysulfide Adsorption in Metal–Organic Frameworks for Lithium–Sulfur Batteries	45
Machine Learning Investigation of Supplementary Adsorbate Influence on Copper for Enhanced Electrochemical CO2 Reduction Performance	45
Magnetoplasma and Cyclotron Phenomena in the High-Temperature X-Band Electron Paramagnetic Resonance Spectra of Graphite	45
Strong Spin-Phonon Coupling in Two-Dimensional Magnetic Semiconductor CrSBr	45
Metal Vacancies in CoAl-Layered Double Hydroxide Nanosheets Enabling Boosted Visible Light Driven CO2 Photoreduction	45
SrZrO3 Cube-Decorated PbS Nanoflowers as Robust Electrocatalysts for the Oxygen Evolution Reaction	44
Chloride Oxidation as an Alternative to the Oxygen-Evolution Reaction on HxWO3 Photoelectrodes	44
Anisotropy of the Pressure Effect in the Ti3O5 Phase Transition Process Resolved by Direction-Dependent Interface Propagation	43
Phonons Damped by Proton Doping in Barium Zirconate	43
Understanding the Accelerated Sodium-Ion-Transport Mechanism of an Interfacial Modified Polyacrylonitrile Separator	43

NiX2 (X = S, Se, and Te) Monolayers: Promising Anodes in Li/Na-Ion Batteries and Superconductors	43
Rational Design of Two-Dimensional Porous Boron Phosphide as Efficient Cathode Material for Li and Na Ion Batteries: A First-Principles Study	43
Density of Phonon States in Cubic Ice Ic	42
Effects of Missing Linker Defects on the Elastic Properties and Mechanical Stability of the Metal–Organic Framework HKUST-1	42
Critical Evaluation of the Photovoltaic Performance of (AgI)x(BiI3)y Thin Films from the Viewpoint of Ultrafast Spectroscopy and Photocurrent Experiments	42
Tribocatalytic Nitrogen Fixation Assisted by Active Nitrogen Atoms on the Surface of Si3N4 at Room Temperature	42
Ultrafast Transient Absorption Spectroscopy of Inkjet-Printed Graphene and Aerosol Gel Graphene Films: Effect of Oxygen and Morphology on Carrier Relaxation Dynamics	42
Evolutionary Search and Theoretical Study of Silicene Grain Boundaries’ Mechanical Properties	42
Metal Cocatalyst Dictates Electron Transfer in Ag-Decorated MoS2 Nanosheets	42
Tunable Band Gap and Rhombohedral Distortion in Lead-Free CsSn1–xGexI3 Mixed Perovskites	41
Issue Publication Information	41
Effect of Aluminum Siting in H-ZSM-5 on Reaction Barriers	41
Role of Oxygen Vacancy in the Photocarrier Dynamics of WO3 Photocatalysts: The Case of Recombination Centers	41
Issue Editorial Masthead	41
Issue Editorial Masthead	41
Promoting Effect of Supports with Oxygen Vacancies as Extrinsic Defects on the Reduction of Iron Oxide	41
Alkoxy-Bridged Dicopper(II) Cores Meet Tetracyanonickelate Linkers: Structural, Magnetic, and Theoretical Investigation of Cu/Ni Coordination Polymers	41
Effect of Ligands and Their Removal on the Au Nanoparticle-Catalyzed Reduction of 4-Nitrophenol	41
Correction to “Regulation of Signaling from the Epidermal Growth Factor Family”	41
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Identification of a Stable Ozonide Ion Bound to a Single Cadmium Site within the Zeolite Cavity	40
Nanoscale Dynamics of Self-Assembled Monolayers on a MHz-Oscillating Solid–Liquid Interface Revealed by Direct Observation	40
Multijunction Photoanode of Mo:BiVO4 Layered with TiO2 Inverse Opal and NiBi Oxygen Evolution Catalyst to Trap Light and Enhance Water Splitting	40
On the Optical Properties of Diamino-Pillared Graphene Architectures	40
First-Formed Framework Species and Phosphate Structure Distributions in Phosphorus-Modified MFI Zeolites	40
Issue Editorial Masthead	40
Challenges and Opportunities of Tip-Enhanced Raman Spectroscopy in Liquids	40
Theoretical Insight into the Transition-Metal-Embedded Boron Nitride-Doped Graphene Single-Atom Catalysts for Electrochemical Nitrogen Reduction Reaction	39
Spectroscopic Techniques and DFT Calculations to Highlight the Effect of Fe3+ on the Properties of FeNb11O29, Anode Material for Lithium-Ion Batteries	39
Vibration Analysis of Hexagonal Boron Nitride under Electric Field via Semiempirical Quantum Mechanical Method	39
Issue Editorial Masthead	39
Correlation between Defect and Lattice States on Modulated TiO2(110) during Redox Reaction	39
Issue Editorial Masthead	39
Computational Investigation of Lithium-Ion Transport Mechanisms in Perfluoropolyether Polymers	39
Enhancing the Electrocatalytic Oxidation of 5-Hydroxymethylfurfural (HMF) via Metallic Cobalt in Au–Co Nanoparticles	38
Effect of Metal Catalyst Facets on Polyethylene Adsorption	38
Exploring the Physicochemical Properties and Electrochemical Behavior of Phosphonium-Based Ionic Liquids as Additives in Carbonate Electrolytes for Lithium-Ion Batteries	38
Graphene-Like Linear Dispersion Spin-Gapless Ferromagnetic Half-Metallic in Two-Dimensional DJ Phase Perovskite Cs2M2X8	38
The Planar Si(IV) of Bis(catecholato)silane on a Metal Surface Induced by a Surface Constraint	38
Mixed Emission of Acenaphtho[1,2-b] Quinoxaline Regioisomers	38
Integer Charge Transfer Model–PTCDA on MgO(001)/Ag(001) Probing the Transition from Single to Double Integer Charge Transfer	37
Simulation of Quantum Diffusion on a One-Dimensional Periodic Potential	37
Temperature Dependence of Photocatalytic Water Splitting under Visible Light Irradiation over Ir- and Sb-Codoped SrTiO3:Al	37
Multifunctional Properties of FeMnScAl Quaternary Heusler Alloy: Insights into Spintronics, Photovoltaics, and Thermoelectric Applications	37
Exciton Delocalization and Triplet Diffusion in Singlet Fission Materials: A Many-Electron Tight-Binding and Non-Orthogonal CI Study	37
Solvatochromic Dyes Increase the Sensitivity of Nanosensors	37
Impact of Zn Alloying to CsZnxPb1–xI3 Charge Carrier Diffusion Coefficient, Diffusion Length, and Recombination Parameters	37
A Density Functional Theory Study Evaluating the Cooperative and Synergic Effects Between (RuO2)4 and (Fe2O3)2 Clusters in Mixed (RuO2	37
Revisiting the Electronic Structure of α-MnO2 for Energy Storage Application	37
Three-Dimensional Dielectric Capacitors Based on Si Nanopillar Arrays with Polystyrene Spheres as Patterning Template	37
Tribute to Jens K. Nørskov	37
Tracking the Redox Properties of CeO2 Powders by Infrared Spectroscopy: Monitoring the Defect States by O2 Adsorption and the Ce3+ Spin–Orbit Transition	37
Exciton in Halide Perovskite Nanoplatelets: Finite Confinement and Dielectric Effect in Effective Mass Approximation	37
Detecting Reactive Products in Carbon Capture Polymers with Chemical Shift Anisotropy and Machine Learning	37
Machine Learning for Thermal Conductivity Prediction in Graphene/Hexagonal Boron Nitride van der Waals Heterostructures	37
Surface Film Formation from Sodium Polysulfide Decomposition on Sodium-Metal Anode Surface	36
Effects of Next-Nearest-Neighbor Aluminum Location on the Brønsted Acidity of HY Zeolites	36
Issue Editorial Masthead	36
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Incorporation of Kr and Xe in Uranium Mononitride: A Density Functional Theory Study	36
Pressure-Stimulated Photopolymerization in Fullerene Layers of a Molecular Complex [{Zn(Et2dtc)}2·DABCO]·C60·(DABCO)2	36
Correction to “Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran”	36
Correction to “Loading of Antibiotics into Polyelectrolyte Multilayers after Self-Assembly and Tunable Release by Catechol Reaction”	36
Photoinduced Local Symmetry Breakage in SrTiO3 and Potential Pathways to Ferroelectricity	36
Compressive Stress and Charge Redistribution during CO Adsorption onto Pt	36
Issue Editorial Masthead	36
Fate of Water Molecules on (11-20) and (1-102) α-Alumina Surfaces: 2D Periodic Self-Consistent Charge-Density Functional Tight-Binding/Molecular Mechanics Molecular Dynamics Study	36
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Theoretical Insight into the Origin of Dielectric and Magnetoelectric FeCo Alloy–Metal Fluoride Insulators	34
Investigations on the ORR Catalytic Performance Attenuation of a 1D Fe Single-Atom Catalyst during the Discharge Process	34
Role of C–F Bonding on the Optical Properties of Fluorinated Graphene Oxide	34
Direct Observation of the Interaction between the Substrate Surface and Organic Molecules for the Formation of Highly Oriented Organic Thin Films	34
Issue Editorial Masthead	34
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Virtual Special Issue on Machine Learning in Physical Chemistry, Volume 2 ─ Call for Papers	34
Modeling of Close-Packed Patterns of Intact and Partially Deprotonated TPTC Molecules	34
Second Order Phase Transition and Stabilizing CH···H and CH···S Interactions in Naphthyl End-Capped Bithiophene at 3.5 GPa	34

Issue Publication Information	34
Temperature Dependent Local Atomic Structure and Vibrational Dynamics of Barium Hydride and Calcium Hydride	34
Drift-Diffusion Phenomenon in the Presence of Reversible Trapping Reaction	34
Tribute to Zhao-Wu Tian	34
Issue Editorial Masthead	34
Coarse-Grained Molecular Dynamics Simulation of Cobalt Nanoparticle in the n-Octacosane–Water Mixture: The Effect of Water Concentration and Nanoparticle Size	34
Characteristics of Impactful Machine Learning Contributions to The Journal of Physical Chemistry	34
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Role of Oxygen Vacancy Formation Energy and Insulating Behavior in Darkening of White Amorphous TiO2	34
Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores	34
Personal Perspective on a Life in Science	34
TEM Structure, Nanomechanical Property, and Adhesive Force of Magnetron-Sputtered Cr-DLC Coating on a Nitrided Ti6Al4V Alloy	33
Issue Editorial Masthead	33
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Using Magnetometry to Understand the Relative Role of Magnetic Particles in Co-Based Catalysts for the Oxygen Reduction Reaction	33
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Design for a Sustainability Approach to Organic Solar Cell Design: the Use of Machine Learning to Quantify the Trade-off between Performance, Stability, and Environmental Impact	33
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The Journal of Physical Chemistry: Looking Back on Our 125th Anniversary and Looking Ahead to 2022	33
Numerical Investigation of Enhanced and Quenched Radiative Decay Rate for One and Multiple Emitters near a Nanoparticle Surface	33
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Correction to “System Size-Dependent Transport Properties in Materials of Nanoscale Dimension”	32
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Spectacular Enhancement of Pr3+ Emission in a Highly Symmetric Ba2MgWO6 Matrix	32
Issue Editorial Masthead	32
Quantum Coherent Phenomena in Energy Harvesting and Storage	32
Effect of Inorganic Acid Concentration on Sandstone Surface Chemistry Examined via Nuclear Magnetic Resonance	32
Thermal Behavior of Silver–Gold Core–Shell Nanocubes: In Situ X-ray Diffraction and In Situ Electron Microscopy (SEM and TEM)	32
Issue Editorial Masthead	32
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MoS2-Modified CdS Hexagonal Pyramid To Form a New Photogenerated Carrier Migration Path with Highly Efficient Photocatalytic H2 Performance	32
Lattice-Strain Coupled to Molecular Conformation and Disorder in Compressed Nickelocene	31
Sixty Years of Surface-Specific Spectroscopy	31
Issue Editorial Masthead	31
Issue Editorial Masthead	31
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Tribute for Professor Horst Weller	31
Correction to Nonradiative Energy Migration in Spherical Nanoparticles Theoretical Model and Monte Carlo Study	31
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Issue Editorial Masthead	31
Measuring the Surface Energy of Nanosheets by Emulsion Inversion	31
Correction to “Impedance Spectra and Surface Coverages Simulated Directly from the Electrochemical Reaction Mechanism: A Nonlinear State-Space Approach”	31
Accelerating Self-Healing Driven by Surface Energy Using Bulky Ester Groups in Polymer Materials	31
Issue Editorial Masthead	31
Issue Editorial Masthead	31
Autobiography: A View of This Superb Adventure Experienced by Marie-Paule Pileni	30
Role of La 5p in Bulk and Quantum-Confined Solids Probed by the La 5p54f1 3D1 Excitonic Final State of Resonant Inelastic X-ray Scattering	30
First-Principles Investigation on the Significant Anisotropic Thermoelectric Transport Performance of a Hf2Cl4 Monolayer	30
A Quasi-Metal–Organic Framework Based on Cobalt for Improved Catalytic Conversion of Aquatic Pollutant 4-Nitrophenol	30
Optimizing the Atom Substitution of Er in WS2 Nanosheets for High-Performance Photoelectrochemical Applications	30
Newly Designed 3D Carbon Allotrope with High Hardness and Strong UV–Vis Light Absorption	30
Reassessing the Adsorption Behavior and on-Surface Reactivity of a Brominated Porphyrin on Cu(111)	30
Issue Editorial Masthead	30
Correlation of Physical Features and the Photovoltaic Performance of P3HT:PCBM Solar Cells by Cu-Doped SnS Nanoparticles	30
Heteroatom-Doped Nanoporous Carbons for Ethanol/Benzene Separation: Emphasizing the Role of Molecular Clustering Effects	30
Size-Dependent Oxidative Stability of Silicon Nanoclusters Mixed with a Tantalum Atom	30
Non-Negligible Role of Multifunctional MXene Hosts for Li–S Batteries: Anchoring and Electrocatalysis	30
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Observation of Undercooling in a Levitated Nanoscale Liquid Au Droplet	30
Issue Editorial Masthead	30
Issue Publication Information	30
Theoretical Study on the Contacting Interface-Dependent Band Alignments of CsPbBr3@MoS2 van der Waals Heterojunctions: Spin–Orbit Coupling Does Matter	30
Uniform Organically Modified CeO2 Nanoparticles Synthesized from a Carboxylate Complex under Supercritical Hydrothermal Conditions: Impact of Ce Valence	30
Electron Beam-Induced Effects on a Ni-Rich Layered Cathode Material: A Comprehensive Investigation Using STEM and EELS	29
Feasibility of Methane Oxidation on SSZ-13 Bridged Pd2Ox Sites: A Theoretical Study	29
Structured Gold Films Deposited on Uncured Polydimethylsiloxane for SERS Applications	29
Mechanistic Insight on the Stability of Ether and Fluorinated Ether Solvent-Based Lithium Bis(fluoromethanesulfonyl) Electrolytes near Li Metal Surface	29
Exploring the Insertion Mechanisms of Metal Cations into V3O7·H2O	29
Efficient Light Emission Modulation of Electron–Phonon Coupling in Sb3+-Doped 2D A2CdCl4 by Varied Amine Molecules	29
Ultrafast Dynamics in Cu-Deficient CuInS2 Quantum Dots: Sub-Bandgap Transitions and Self-Assembled Molecular Catalysts	29
CO2 Adsorptions on d-Block-Metal-Doped Nickel Nanoparticles: Unexpected Adsorption Configurations Predicted by Machine Intelligence	29
Issue Publication Information	29
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	29
Dimensionality Effect of the “Free-Oxygen” Motif on the Crystal Field Splitting in Rare-Earth Crystals	29
Computational Modeling of Hydrated Polyamine-Based Anion Exchange Membranes via Molecular Dynamics Simulation	29
Does Mixed Linker-Induced Surface Heterogeneity Impact the Accuracy of IAST Predictions in UiO-66-NH2?	29
Electron Dynamics in Ba5Ta4O15 Electrospun Nanofibers Revealed by Transient Absorption Spectroscopy	29
Defect Tolerance of Lead-Halide Perovskite (100) Surface Relative to Bulk: Band Bending, Surface States, and Characteristics of Vacancies	29
Modeling of High-Temperature Ordered Structures with Weak Intermolecular C–H···F and C–H···N Bonds	29
Unraveling the Molecular Details of the “Gate Opening” Phenomenon in ZIF-8 with X-ray Absorption Spectroscopy	29
Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties	29
Systematic Exploration of WO3/TiO2 Heterojunction Phase Space for Applications in Photoelectrochemical Water Splitting	29
Cadmium-Free Colloidal Branched Nanocrystals with Optical Anisotropy Induced by Symmetry Breaking	28
Modeling of Active Sites and Mechanism of Oxidative Coupling of Methane over Alkali Tungstate Catalysts	28
Insight into the Injection Rate Effects on Residual Liquid Film in Tight Sandstone Nanopore	28
Water Interaction with Fe2NiP Schreibersite (110) Surface: a Quantum Mechanical Atomistic Perspective	28
Electronic, Orbital, and Spin Reconstructions at the Interface between Metallic La0.7Sr0.3MnO3 and Charge-Disproportionated Insulator SrCoO2.5	28
Energetic, Electronic, and Optical Properties of Intrinsic Charge Carrier-Trapping Defects in KTaO3: Insights from a Hybrid DFT Study	28
Tuning the Physical Properties of Lead-Free Halide Double Perovskite Cs2MInCl6 (M = Na, K) via Cu Doping for Optoelectronic Applications: ADFT Investigation	28
Monoclinic–Orthorhombic Phase Transition with a Positive Volume Change in the Siliceous Zeolite Mobil-Five Induced by the High-Pressure Insertion of Dense Fluid Helium	28