OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Physical Chemistry Letters is 69. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-04-01 to 2024-04-01.)

Article	Citations
Accurate and Numerically Efficient r²SCAN Meta-Generalized Gradient Approximation	349
The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems	179
Strong Electric Field Observed at the Interface of Aqueous Microdroplets	167
Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn²⁺-Based Metal Halides: A Case Study of (C₁₀H₁₆N)₂Zn_1–xMn_<	148
Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atom Simulations	141
Highly Efficient Self-Trapped Exciton Emission of a (MA)₄Cu₂Br₆ Single Crystal	139
Experimental Realization of Diffusion with Stochastic Resetting	133
Tin versus Lead Redox Chemistry Modulates Charge Trapping and Self-Doping in Tin/Lead Iodide Perovskites	132
Efficient Energy Transfer in Te⁴⁺-Doped Cs₂ZrCl₆ Vacancy-Ordered Perovskites and Ultrahigh Moisture Stability via A-Site Rb-Alloying Strategy	130
High-Fidelity Potential Energy Surfaces for Gas-Phase and Gas–Surface Scattering Processes from Machine Learning	129
Chiral Molecules and the Spin Selectivity Effect	127
Critical Assessment of the Use of Excess Lead Iodide in Lead Halide Perovskite Solar Cells	117
Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics	114
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2’s Main Protease	113
Theoretical Understanding of Structure–Property Relationships in Luminescence of Carbon Dots	112
Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence	111
Marangoni Effect-Driven Transfer and Compression at Three-Phase Interfaces for Highly Reproducible Nanoparticle Monolayers	106
Discovery of COVID-19 Inhibitors Targeting the SARS-CoV-2 Nsp13 Helicase	106
Understanding the Stability of MAPbBr₃ versus MAPbI₃: Suppression of Methylammonium Migration and Reduction of Halide Migration	102
Elucidating Stress–Strain Relations of ZrB₁₂ from First-Principles Studies	97
The Bethe–Salpeter Equation Formalism: From Physics to Chemistry	96
On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations	96
Spontaneous Enhanced Visible-Light-Driven Photocatalytic Water Splitting on Novel Type-II GaSe/CN and Ga₂SSe/CN vdW Heterostructures	96
Highly Luminescent Zero-Dimensional Organic Copper Halides for X-ray Scintillation	96
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties	96

Data-Driven Collective Variables for Enhanced Sampling	96
Ultrafast Hole Transfer and Carrier Transport Controlled by Nanoscale-Phase Morphology in Nonfullerene Organic Solar Cells	94
Broadband Ultraviolet Self-Powered Photodetector Constructed on Exfoliated β-Ga₂O₃/CuI Core–Shell Microwire Heterojunction with Superior Reliability	93
Orbital Optimized Density Functional Theory for Electronic Excited States	92
Inkjet-Printed Quantum Dot Color Conversion Films for High-Resolution and Full-Color Micro Light-Emitting Diode Displays	92
Ultra-Narrow-Band NIR Photomultiplication Organic Photodetectors Based on Charge Injection Narrowing	91
The Ground State Electronic Energy of Benzene	90
Comparing the Binding Interactions in the Receptor Binding Domains of SARS-CoV-2 and SARS-CoV	89
Synergistic Effect of Surface-Terminated Oxygen Vacancy and Single-Atom Catalysts on Defective MXenes for Efficient Nitrogen Fixation	88
Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)₂SbCl₅·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability	88
Pb-Based Perovskite Solar Cells and the Underlying Pollution behind Clean Energy: Dynamic Leaching of Toxic Substances from Discarded Perovskite Solar Cells	87
Halide Perovskite Nanocrystal Photocatalysts for CO₂ Reduction: Successes and Challenges	87
Ultrafast Dynamics of Self-Trapped Excitons in Lead-Free Perovskite Nanocrystals	84
Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor	83
Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO₂ Reduction	83
Ultrafast Excited-State Localization in Cs₂AgBiBr₆ Double Perovskite	83
Lattice Oxygen Exchange in Rutile IrO₂ during the Oxygen Evolution Reaction	81
Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity	81
Excitation-Dependent Triplet–Singlet Intensity from Organic Host–Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence	81
Ultrafast Speed, Dark Current Suppression, and Self-Powered Enhancement in TiO₂-Based Ultraviolet Photodetectors by Organic Layers and Ag Nanowires Regulation	80
Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies	80
Strain and Charge Doping Fingerprints of the Strong Interaction between Monolayer MoS₂ and Gold	80
Beryllene: A Promising Anode Material for Na- and K-Ion Batteries with Ultrafast Charge/Discharge and High Specific Capacity	79
Modulation of Thermally Stable Photoluminescence in Cr³⁺-Based Near-Infrared Phosphors	79
High-Performance Deep Ultraviolet Photodetector Based on a One-Dimensional Lead-Free Halide Perovskite CsCu₂I₃ Film with High Stability	79
Multiple Self-Trapped Emissions in the Lead-Free Halide Cs₃Cu₂I₅	78
Terahertz Wave Accelerates DNA Unwinding: A Molecular Dynamics Simulation Study	76
Highly Stable Red Quantum Dot Light-Emitting Diodes with Long T₉₅ Operation Lifetimes	76
Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19	76
Beyond Impedance Spectroscopy of Perovskite Solar Cells: Insights from the Spectral Correlation of the Electrooptical Frequency Techniques	76
Repositioning of 8565 Existing Drugs for COVID-19	75
In Situ Irradiated X-ray Photoelectron Spectroscopy Investigation on Electron Transfer Mechanism in S-Scheme Photocatalyst	74
What Happens When Halide Perovskites Meet with Water?	72
Highly Luminescent and Stable CsPbI₃ Perovskite Nanocrystals with Sodium Dodecyl Sulfate Ligand Passivation for Red-Light-Emitting Diodes	72
Screening a Suitable Mo Form Supported on Graphdiyne for Effectively Electrocatalytic N₂ Reduction Reaction: From Atomic Catalyst to Cluster Catalyst	72
Organic Room-Temperature Phosphorescent Materials: From Static to Dynamic	72
The Origin of Mo₂C Films for Surface-Enhanced Raman Scattering Analysis: Electromagnetic or Chemical Enhancement?	72
Grain Size Influences Activation Energy and Migration Pathways in MAPbBr₃ Perovskite Solar Cells	71
Nanoconfined Fluids: What Can We Expect from Them?	71
Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped h-BP	70
Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping	70
The Origin of the Constant Phase Element	70
Efficient and Stable Perovskite Solar Cells Enabled by Dicarboxylic Acid-Supported Perovskite Crystallization	70
Mechanisms of SARS-CoV-2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America	69