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JOURNAL OF PHYSICAL CHEMISTRY C
AMER CHEMICAL SOC
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Decoupling Dynamic Effects from Adsorption in Hydrogen Electrocatalysis: Frequency of Effective Collisions as Activity Determinant
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Lateral Size Governs Hydrogen Evolution Reaction Mechanisms and Kinetics of Ultrathin Pd Nanosheets in Acidic and Alkaline Electrolytes
Understanding the influence of nanoscale geometry on hydrogen evolution reaction (HER) mechanisms and kinetics is crucial for rational catalyst design. Here, we construct a well-defined model system of ultrathin Pd nanosheets with controlled lateral sizes (ca. 11 to 44 nm) and comparable thickness to systematically probe lateral size effects on HER kinetics in different electro…
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Oxygen Evolution Reaction Catalyzed by Single-Atom Ir Anchored on a Disordered NiFe Oxyhydroxide Catalyst: A Combined DFT and Machine Learning Potential Study
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Vacancy-Driven Phase Separation Governs Li + Transport Degradation in Li 2– x O 2 : A Computational Study Relevant to Li–O 2 Batteries
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Feasibility Prediction of Zintl-Phase Ternary Intermetallic Compounds for Broadband Infrared Detectors
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Simultaneously Photocatalytic H 2 Production and C–C Coupling of 4-Pyridinemethanol on Pt Doped CdS/TiO 2 Heterojunction
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Unraveling the Dual Role of Li 3 P at the Li/Li 6 PS 5 Cl Interface: First-Principles Insights into Electronic Self-Confinement and Fast Ion Transport
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Optimizing Triplet-Triplet Annihilation Upconversion via Control of Annihilator Diradical Character
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Surface-Nanocorrugation-Controlled Selectivity and Tunability of Plasmon Resonances: Application to Resonance Energy Transfer
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Correction to “Orbital-Selective Pauli Spin Paramagnetic Susceptibility and Doping-Tunable Magnetic Response in Monolayer Honeycomb Borophene Oxide (h-B 2 O)”
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Interfacial Transport Persistence Governs the Ion Tolerance of Self-Diffusiophoretic Colloidal Motors
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CO 2 Hydrogenation on Ni(100): Effect of Reaction Conditions on the Adsorption Sites of CO Intermediates and the Chemical State of Nickel
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Hydrostatic Pressure-Driven Band Gap Tuning and Self-Trapped Exciton Formation in (4FPEA) 2 SnBr 4 Halide Perovskite
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Nonequilibrium Oxidation Dynamics of SiC: From Epitaxial Passivation to Kinetically Driven Ablation and Oxygen-Transport Crossover
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Effect of Mixed EC/DMC Solvent Composition and Temperature on Structure and Ion Transport in a Lithium Bis(fluorosulfonyl)imide Salt-Based Battery Electrolyte
Carbonate-based lithium battery electrolytes are chosen due to their excellent chemical stability and electrochemical performance. In this work, using several computational methods, we have investigated the effect of ethyl carbonate (EC)-dimethyl carbonate (DMC) composition (and temperature) mixed with a lithium bis(fluorosulfonyl)imide salt (LiFSI). Density Functional Theory (…
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Influences of Anion Nature and Concentration on High-Pressure Intrusion–Extrusion of Potassium-Based Salt Aqueous Solutions in ZIF-8
High-pressure intrusion–extrusion experiments of potassium-based salt aqueous solutions (KI, KBr, KCl, and KF) with various H 2 O/K + molar ratios were performed in a hydrophobic Zeolitic Imidazolate Framework (ZIF-8) in order to study the influence of anion nature on the energetic performance. Irrespective of the salt solution taken, the intrusion pressure increases with salt …
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