Journal of Physical Chemistry Letters

Article	Citations
Efficient Energy Transfer in Te4+-Doped Cs2ZrCl6 Vacancy-Ordered Perovskites and Ultrahigh Moisture Stability via A-Site Rb-Alloying Strategy	153
Theoretical Understanding of Structure–Property Relationships in Luminescence of Carbon Dots	137
Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence	129
Highly Luminescent Zero-Dimensional Organic Copper Halides for X-ray Scintillation	125
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties	123
Orbital Optimized Density Functional Theory for Electronic Excited States	112
Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)2SbCl5·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability	106
Broadband Ultraviolet Self-Powered Photodetector Constructed on Exfoliated β-Ga2O3/CuI Core–Shell Microwire Heterojunction with Superior Reliability	105
Spontaneous Enhanced Visible-Light-Driven Photocatalytic Water Splitting on Novel Type-II GaSe/CN and Ga2SSe/CN vdW Heterostructures	104
Ultra-Narrow-Band NIR Photomultiplication Organic Photodetectors Based on Charge Injection Narrowing	103
Ultrafast Excited-State Localization in Cs2AgBiBr6 Double Perovskite	101
Ultrafast Dynamics of Self-Trapped Excitons in Lead-Free Perovskite Nanocrystals	101
In Situ Irradiated X-ray Photoelectron Spectroscopy Investigation on Electron Transfer Mechanism in S-Scheme Photocatalyst	99
The Origin of the Constant Phase Element	99
Modulation of Thermally Stable Photoluminescence in Cr3+-Based Near-Infrared Phosphors	99
Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO2 Reduction	98
What Happens When Halide Perovskites Meet with Water?	95
Electro-Reforming Polyethylene Terephthalate Plastic to Co-Produce Valued Chemicals and Green Hydrogen	92
Ultrafast Speed, Dark Current Suppression, and Self-Powered Enhancement in TiO2-Based Ultraviolet Photodetectors by Organic Layers and Ag Nanowires Regulation	90
Excitation-Dependent Triplet–Singlet Intensity from Organic Host–Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence	89
Highly Luminescent and Stable CsPbI3 Perovskite Nanocrystals with Sodium Dodecyl Sulfate Ligand Passivation for Red-Light-Emitting Diodes	83
The Origin of Mo2C Films for Surface-Enhanced Raman Scattering Analysis: Electromagnetic or Chemical Enhancement?	83
Grain Size Influences Activation Energy and Migration Pathways in MAPbBr3 Perovskite Solar Cells	82
Dynamics of Photogenerated Charge Carriers in Inorganic/Organic S-Scheme Heterojunctions	79
Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping	79

Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19	77
High-Throughput Computational Screening of Two-Dimensional Semiconductors	77
Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped h-BP	77
Perovskite-Type 2D Materials for High-Performance Photodetectors	77
Efficient and Stable Perovskite Solar Cells Enabled by Dicarboxylic Acid-Supported Perovskite Crystallization	75
Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials	75
Mechanisms of SARS-CoV-2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America	74
Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS2 for Efficient Nitrogen Fixation	73
Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties	73
Zero-Dimensional Lead-Free FA3Bi2I9 Single Crystals for High-Performance X-ray Detection	72
Computational Screening of High Activity and Selectivity TM/g-C3N4 Single-Atom Catalysts for Electrocatalytic Reduction of Nitrates to Ammonia	71
Co-Doped Ni3N Nanosheets with Electron Redistribution as Bifunctional Electrocatalysts for Efficient Water Splitting	69
Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission	69
Understanding the Principles and Applications of Dual Z-Scheme Heterojunctions: How Far Can We Go?	69
Machine Learning Force Fields: Recent Advances and Remaining Challenges	68
One-Step Green Solvothermal Synthesis of Full-Color Carbon Quantum Dots Based on a Doping Strategy	68
Origins of Visible and Near-Infrared Emissions in [Au25(SR)18]− Nanoclusters	67
Confined Water’s Dielectric Constant Reduction Is Due to the Surrounding Low Dielectric Media and Not to Interfacial Molecular Ordering	67
Quantum Effects in Chemical Reactions under Polaritonic Vibrational Strong Coupling	67
Unveiling Potential Dependence in NO Electroreduction to Ammonia	67
Energy-Funneling Process in Quasi-2D Perovskite Light-Emitting Diodes	66
Slow Passivation and Inverted Hysteresis for Hybrid Tin Perovskite Solar Cells Attaining 13.5% via Sequential Deposition	65
Life on the Urbach Edge	65
Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs3Bi2Cl9 Perovskite Single Crystal	64
Ultrastrong Red Circularly Polarized Luminescence Promoted from Chiral Transfer and Intermolecular Förster Resonance Energy Transfer in Ternary Chiral Emissive Nematic Liquid Crystals	64
Organics-Coated Nanoclays Further Promote Hydrate Formation Kinetics	64
Omicron BA.2 (B.1.1.529.2): High Potential for Becoming the Next Dominant Variant	64
Electrically Conductive Coordination Polymers for Electronic and Optoelectronic Device Applications	64
Structure of the SARS-CoV-2 Nsp1/5′-Untranslated Region Complex and Implications for Potential Therapeutic Targets, a Vaccine, and Virulence	64
Dual Role of Quantum Dots as Color Conversion Layer and Suppression of Input Light for Full-Color Micro-LED Displays	64
Two-Dimensional Boron Phosphide/MoGe2N4 van der Waals Heterostructure: A Promising Tunable Optoelectronic Material	63
Machine Learning: A New Paradigm in Computational Electrocatalysis	63
Decoding Asymptomatic COVID-19 Infection and Transmission	63
Improving Enzyme Catalytic Efficiency by Co-operative Vibrational Strong Coupling of Water	62
Reversible Luminescent Vapochromism of a Zero-Dimensional Sb3+-Doped Organic–Inorganic Hybrid	62
Interfacial Electronic Properties and Tunable Contact Types in Graphene/Janus MoGeSiN4 Heterostructures	62
ML-DTI: Mutual Learning Mechanism for Interpretable Drug–Target Interaction Prediction	61
Revealing the Hidden Sensitivity of Intrinsically Disordered Proteins to their Chemical Environment	61
Driving Forces and Routes for Aggregation-Induced Emission-Based Highly Luminescent Metal Nanocluster Assembly	61
Role of Ions on the Surface-Bound Water Structure at the Silica/Water Interface: Identifying the Spectral Signature of Stability	61
Low-Power Memristor Based on Two-Dimensional Materials	60
Aptamer Conjugated Gold Nanostar-Based Distance-Dependent Nanoparticle Surface Energy Transfer Spectroscopy for Ultrasensitive Detection and Inactivation of Corona Virus	60
Origin of Luminescence in Sb3+- and Bi3+-Doped Cs2SnCl6 Perovskites: Excited State Relaxation and Spin–Orbit Coupling	60
Band-Edge Orbital Engineering of Perovskite Semiconductors for Optoelectronic Applications	59
Optimization of High-Entropy Alloy Catalyst for Ammonia Decomposition and Ammonia Synthesis	59
Halide Perovskites for Memristive Data Storage and Artificial Synapses	59
Bandgap Engineering and Oxygen Vacancy Defect Electroactivity Inhibition in Highly Crystalline N-Alloyed Ga2O3 Films through Plasma-Enhanced Technology	58
Cobalt Catalysts Enable Selective Hydrogenation of CO2 toward Diverse Products: Recent Progress and Perspective	58
Continuously Graded Quantum Dots: Synthesis, Applications in Quantum Dot Light-Emitting Diodes, and Perspectives	58
Two-Dimensional Biphenylene: A Graphene Allotrope with Superior Activity toward Electrochemical Oxygen Reduction Reaction	57

Anisotropic Janus SiP2 Monolayer as a Photocatalyst for Water Splitting	57
Generic Structural Relaxation in Supercooled Liquids	57
Surface Plasmon–Photon Coupling in Lanthanide-Doped Nanoparticles	57
Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application	57
Quantum Dot Photocatalysts for Organic Transformations	57
Machine Learning Roadmap for Perovskite Photovoltaics	56
Recent Progress in Responsive Structural Color	56
Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant	56
Indentation Strengths of Zirconium Diboride: Intrinsic versus Extrinsic Mechanisms	56
Tuning the Excitonic Properties of the 2D (PEA)2(MA)n−1PbnI3n+1Perovskite Family via Quantum Confinement	56
Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet–Triplet Systems?	56
Progress and Perspective on Carbon-Based Nanozymes for Peroxidase-like Applications	55
BaZrS3 Chalcogenide Perovskite Thin Films by H2S Sulfurization of Oxide Precursors	55
Highly Efficient Near-Infrared Thermally Activated Delayed Fluorescence Molecules via Acceptor Tuning: Theoretical Molecular Design and Experimental Verification	54
Liquid–Liquid Phase Separation of Tau Protein Is Encoded at the Monomeric Level	54
Metal Halide Perovskite-Based Memristors for Emerging Memory Applications	54
1D α-Fe2O3/ZnO Junction Arrays Modified by Bi as Photocathode: High Efficiency in Photoelectrochemical Reduction of CO2 to HCOOH	53
Toward Rational Design of Single-Atom Catalysts	53
Investigation of Intramolecular Through-Space Charge-Transfer States in Donor–Acceptor Charge-Transfer Systems	53
Excited-State Symmetry-Breaking Charge Separation Dynamics in Multibranched Perylene Diimide Molecules	53
Halide Perovskites for Resistive Switching Memory	53
Unraveling the Mechanism for Tuning the Fluorescence of Fluorescein Derivatives: The Role of the Conical Intersection and nπ* State	52
In Situ Fabrication of Cs3Cu2I5: Tl Nanocrystal Films for High-Resolution and Ultrastable X-ray Imaging	52
Achieving Purely Organic Room-Temperature Phosphorescence Mediated by a Host–Guest Charge Transfer State	52
q-AQUA: A Many-Body CCSD(T) Water Potential, Including Four-Body Interactions, Demonstrates the Quantum Nature of Water from Clusters to the Liquid Phase	52
Advancing Physical Chemistry with Machine Learning	52
Identifying Metallic Transition-Metal Dichalcogenides for Hydrogen Evolution through Multilevel High-Throughput Calculations and Machine Learning	51
Two-Dimensional Metal/Semiconductor Contact in a Janus MoSH/MoSi2N4 van der Waals Heterostructure	51
Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes	51
Concentric Approximation for Fast and Accurate Numerical Evaluation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials	51
Dual-Silicon-Doped Graphitic Carbon Nitride Sheet: An Efficient Metal-Free Electrocatalyst for Urea Synthesis	51
Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors	50
High-Throughput Screening of Efficient Biatom Catalysts Based on Monolayer Carbon Nitride for the Nitric Oxide Reduction Reaction	50
Graphitic Carbon Nitride Sheet Supported Single-Atom Metal-Free Photocatalyst for Oxygen Reduction Reaction: A First-Principles Analysis	50
Role of Ions in Hydrogels with an Ionic Seebeck Coefficient of 52.9 mV K–1	50
Induction of Co2P Growth on a MXene (Ti3C2Tx)-Modified Self-Supporting Electrode for Efficient Overall Water Splitting	50
Toward a General Understanding of Exciton Self-Trapping in Metal Halide Perovskites	50
The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium–Metal Anode Surface	50
The Rise of Neural Networks for Materials and Chemical Dynamics	49
Artificial Photosynthesis over Metal Halide Perovskites: Achievements, Challenges, and Prospects	49
Electrocatalytic Reduction of NO3– to Ultrapure Ammonia on {200} Facet Dominant Cu Nanodendrites with High Conversion Faradaic Efficiency	49
Flexible Cascaded Wire-in-Cavity-in-Bowl Structure for High-Performance and Polydirectional Sensing of Contaminants in Microdroplets	49
Efficient Charge Transport Enables High Efficiency in Dilute Donor Organic Solar Cells	49
Machine Learning Assisted Exploration of High Entropy Alloy-Based Catalysts for Selective CO2 Reduction to Methanol	49
Aggregation-Enhanced Thermally Activated Delayed Fluorescence Efficiency for Two-Coordinate Carbene–Metal–Amide Complexes: A QM/MM Study	49
Onion-Ring-like Carbon and Nitrogen from ZIF-8 on TiO2/Fe2O3 Nanostructure for Overall Electrochemical Water Splitting	49
Refining the Negative Differential Resistance Effect in a TiOx-Based Memristor	49
Bimetallic Phosphides for Hybrid Supercapacitors	48
Two-Dimensional Carbon Allotropes and Nanoribbons based on 2,6-Polyazulene Chains: Stacking Stabilities and Electronic Properties	48
Machine Learning-Assisted Development of Organic Solar Cell Materials: Issues, Analyses, and Outlooks	48
Coherent Electron Transport across a 3 nm Bioelectronic Junction Made of Multi-Heme Proteins	48
Highly Sensitive Dual-Mode Optical Thermometry of Er3+/Yb3+ Codoped Lead-Free Double Perovskite Microcrystal	47
Suppression and Enhancement of Thermal Chemical Rates in a Cavity	47
Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices	47
Investigation on Low-Temperature Thermoelectric Properties of Ag2Se Polycrystal Fabricated by Using Zone-Melting Method	47
Breaking the Coupled Cluster Barrier for Machine-Learned Potentials of Large Molecules: The Case of 15-Atom Acetylacetone	47
Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping	47
Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive T	47
Room-Temperature Phosphorescence and Thermally Activated Delayed Fluorescence in the Pd Complex: Mechanism and Dual Upconversion Channels	47
Large Bulk Piezophotovoltaic Effect of Monolayer 2H-MoS2	47
Theoretical Design of Functionalized Gold Nanoparticles as Antiviral Agents against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)	47
Salt-Dependent Conformational Changes of Intrinsically Disordered Proteins	46
[AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO	46
Improved Doping and Optoelectronic Properties of Zn-Doped Cspbbr3 Perovskite through Mn Codoping Approach	46
Amyloid Aggregation under the Lens of Liquid–Liquid Phase Separation	45
Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2	45
Ultra-High-Sensitive Temperature Sensing Based on Er3+ and Yb3+ Co-Doped Lead-Free Double Perovskite Microcrystals	45
Defect-Mediated Slow Carrier Recombination and Broad Photoluminescence in Non-Metal-Doped ZnIn2S4 Nanosheets for Enhanced Photocatalytic Activity	45
Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not	45
Synergistic Catalysis of Binary RuP Nanoclusters on Nitrogen-Functionalized Hollow Mesoporous Carbon in Hydrogen Production from the Hydrolysis of Ammonia Borane	45
Oxidative Strong Metal–Support Interactions between Metals and Inert Boron Nitride	44
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2	44
Effects of Electron–Phonon Coupling and Spin–Spin Coupling on the Photoluminescence of Low-Dimensional Metal Halides	44
Colorful Perovskite Solar Cells: Progress, Strategies, and Potentials	44
Dynamics of Photoexcited Small Polarons in Transition-Metal Oxides	44
Pressure-Regulated Dynamic Stereochemical Role of Lone-Pair Electrons in Layered Bi2O2S	43
Unravelling the Structural Organization of Individual α-Synuclein Oligomers Grown in the Presence of Phospholipids	43
Circumventing Scaling Relations in Oxygen Electrochemistry Using Metal–Organic Frameworks	43
Advances in Flexible Memristors with Hybrid Perovskites	43
High-Throughput Screening of Two-Dimensional Planar sp2 Carbon Space Associated with a Labeled Quotient Graph	43

Cavity-Modified Unimolecular Dissociation Reactions via Intramolecular Vibrational Energy Redistribution	42
Significant Enhancement of Illumination Stability of Nonfullerene Organic Solar Cells via an Aqueous Polyethylenimine Modification	42
Emission Mechanism of Self-Trapped Excitons in Sb3+-Doped All-Inorganic Metal-Halide Perovskites	42
Theory of Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling	42
Regularized Second-Order Møller–Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost	42
Cu2+-Doped CsPbI3 Nanocrystals with Enhanced Stability for Light-Emitting Diodes	42
Enhanced Near-Infrared Emission from Carbon Dots by Surface Deprotonation	41
Attochemistry: Is Controlling Electrons the Future of Photochemistry?	41
Unveiling Unconventional Luminescence Behavior of Multicolor Carbon Dots Derived from Phenylenediamine	41
Topological Magnetic Materials of the (MnSb2Te4)·(Sb2Te3)nvan der Waals Compounds Family	41
Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers	41
Predicting the Formability of Hybrid Organic–Inorganic Perovskites via an Interpretable Machine Learning Strategy	41
Inverse Kohn–Sham Density Functional Theory: Progress and Challenges	41
Diagnosing the SEI Layer in a Potassium Ion Battery Using Distribution of Relaxation Time	41
Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites	40
First-Principles Prediction of Two-Dimensional B3C2P3and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Ap	40
Chemically Localized Resonant Excitons in Silver–Pnictogen Halide Double Perovskites	40
Surface Defect Formation and Passivation in Formamidinium Lead Triiodide (FAPbI3) Perovskite Solar Cell Absorbers	40
Nanoparticles, Nanocrystals, and Quantum Dots: What are the Implications of Size in Colloidal Nanoscale Materials?	40
Multicolor Output from 2D Hybrid Perovskites with Wide Band Gap: Highly Efficient White Emission, Dual-Color Afterglow, and Switch between Fluorescence and Phosphorescence	40
Valley-Contrasting Physics in Single-Layer CrSi2N4 and CrSi2P4	40
Nonequilibrium Lattice Dynamics in Monolayer MoS2	40
Quantifying and Understanding Errors in Molecular Geometries	40
Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications	39
Novel Strongly Correlated Europium Superhydrides	39
Recent Advances in Porous Materials for Photocatalytic CO2 Reduction	39
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies	39
Impact of Hydroiodic Acid on Resistive Switching Performance of Lead-Free Cs3Cu2I5 Perovskite Memory	38
Broadband SERS Enhancement by DNA Origami Assembled Bimetallic Nanoantennas with Label-Free Single Protein Sensing	38
Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study	38
Opportunities for Next-Generation Luminescent Materials through Artificial Intelligence	38
A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets	38
Unravelling the Open-Shell Character of Peripentacene on Au(111)	38
Highly Sensitive and Stable X-ray Detector Based on a 0D Structural Cs4PbI6 Single Crystal	38
Liquid Sunshine: Formic Acid	38
Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies	38
Antiperovskite K3OI for K-Ion Solid State Electrolyte	38
Spin–Orbit Coupling in 2D Semiconductors: A Theoretical Perspective	38
Role of Ionizable Lipids in SARS-CoV-2 Vaccines As Revealed by Molecular Dynamics Simulations: From Membrane Structure to Interaction with mRNA Fragments	38
Evolution of the Topological Energy Band in Graphene Nanoribbons	38
Reducing Qubit Requirements while Maintaining Numerical Precision for the Variational Quantum Eigensolver: A Basis-Set-Free Approach	38
Polarized Raman Spectroscopy for Determining Crystallographic Orientation of Low-Dimensional Materials	38
Mobility of Cu Ions in Cu-SSZ-13 Determines the Reactivity of Selective Catalytic Reduction of NOx with NH3	38
Surface Ligand Engineering for a Lead-Free Cs3Cu2Br5 Microcrystal-Based Humidity Sensor with a Giant Response	37
Polaritonic Unitary Coupled Cluster for Quantum Computations	37
Vacancies-Engineered M2CO2 MXene as an Efficient Hydrogen Evolution Reaction Electrocatalyst	37
From Frequency Domain to Time Transient Methods for Halide Perovskite Solar Cells: The Connections of IMPS, IMVS, TPC, and TPV	37
Regional Embedding Enables High-Level Quantum Chemistry for Surface Science	37
Dinitrogen and Carbon Dioxide Activation to Form C–N Bonds at Room Temperature: A New Mechanism Revealed by Experimental and Theoretical Studies	37
Gradient-Band Alignment Homojunction Perovskite Quantum Dot Solar Cells	37
Phase-Pure α-FAPbI3 for Perovskite Solar Cells	37
Stability of Tin- versus Lead-Halide Perovskites: Ab Initio Molecular Dynamics Simulations of Perovskite/Water Interfaces	37
In-Cell Double Electron–Electron Resonance at Nanomolar Protein Concentrations	37
Allosteric Cross-Talk among Spike’s Receptor-Binding Domain Mutations of the SARS-CoV-2 South African Variant Triggers an Effective Hijacking of Human Cell Receptor	37
Side-Chain Engineering of Conjugated Polymers for High-Performance Organic Field-Effect Transistors	37
Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate	37
A New Imaginary Term in the Second-Order Nonlinear Susceptibility from Charged Interfaces	36
Spontaneous Formation of Hydrogen Peroxide in Water Microdroplets	36
Dinitrogen Activation and Functionalization by Heteronuclear Metal Cluster Anions FeV2C2– at Room Temperature	36
Minimizing the Trade-Off between Photocurrent and Photovoltage in Triple-Cation Mixed-Halide Perovskite Solar Cells	36
Multilevel Theoretical Screening of Novel Two-Dimensional MA2Z4 Family for Hydrogen Evolution	36
Highly Luminescent CsPbBr3@Cs4PbBr6 Nanocrystals and Their Application in Electroluminescent Emitters	36
Machine Learning Prediction of Allosteric Drug Activity from Molecular Dynamics	36
Trioctylphosphine-Assisted Pre-protection Low-Temperature Solvothermal Synthesis of Highly Stable CsPbBr3/TiO2 Nanocomposites	36
Operational Stability Issues and Challenges in Metal Halide Perovskite Light-Emitting Diodes	36
Stimulus-Responsive Organic Phosphorescence Materials Based on Small Molecular Host–Guest Doped Systems	36
S-Scheme Heterojunction Photocatalysts for H2O2 Production	36
Efficient Photoluminescence of Manganese-Doped Two-Dimensional Chiral Alloyed Perovskites	36
Frenkel Excitons in Vacancy-Ordered Titanium Halide Perovskites (Cs2TiX6)	36
A Novel Strategy toward Thermally Activated Delayed Fluorescence from a Locally Excited State	36
What Leads to Aggregation-Induced Emission?	35
Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model	35
Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal	35
New Two-Dimensional Wide Band Gap Hydrocarbon Insulator by Hydrogenation of a Biphenylene Sheet	35
Solid-State Reversible Dual Fluorescent Switches for Multimodality Optical Memory	35
Effects of High and Low Salt Concentrations in Electrolytes at Lithium–Metal Anode Surfaces Using DFT-ReaxFF Hybrid Molecular Dynamics Method	35
Boosting the Self-Trapped Exciton Emission in Cs2NaYCl6 Double Perovskite Single Crystals and Nanocrystals	35
Controlling Charge Carrier Trapping and Recombination in BiVO4 with the Oxygen Vacancy Oxidation State	35
Near-Unity Photoluminescence Quantum Yield and Highly Suppressed Blinking in a Toxic-Metal-Free Quantum Dot	35
Diverse Structures and Magnetic Properties in Nonlayered Monolayer Chromium Selenide	35
Photoinduced Charge Transfer and Recombination Dynamics in Star Nonfullerene Organic Solar Cells	35
Polymer–Water Interaction Enabled Intelligent Moisture Regulation in Hydrogels	35
Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb)	35
Two-Dimensional Cr2X3S3 (X = Br, I) Janus Semiconductor with Intrinsic Room-Temperature Magnetism	35
Strong Modulation of Band Gap, Carrier Mobility and Lifetime in Two-Dimensional Black Phosphorene through Acoustic Phonon Excitation	35
In-Situ Growth of Urchin Manganese Sulfide Anchored Three-Dimensional Graphene (γ-MnS@3DG) on Carbon Cloth as a Flexible Asymmetric Supercapacitor	35
Single-Atom Ruthenium Catalytic Sites for Acetylene Hydrochlorination	35
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Artificial Neural Networks	34
Anisotropic Optical, Mechanical, and Thermoelectric Properties of Two-Dimensional Fullerene Networks	34
Resonant Cavity Modification of Ground-State Chemical Kinetics	34
Boosting Hydrazine Oxidation Reaction on CoP/Co Mott–Schottky Electrocatalyst through Engineering Active Sites	34
Enhanced Gating Performance of Single-Molecule Conductance by Heterocyclic Molecules	34
Optical-Cavity Manipulation of Conical Intersections and Singlet Fission in Pentacene Dimers	34
Self-Precipitation of Highly Purified Red Emitting Carbon Dots as Red Phosphors	34
Absolute Quantification of sp3 Defects in Semiconducting Single-Wall Carbon Nanotubes by Raman Spectroscopy	34