All Stories

  1. Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow
  2. Combining pressure and electrochemistry to synthesize superhydrides
  3. The promise of energy-efficient battery-powered urban aircraft
  4. Erratum: “Marcus–Hush–Chidsey kinetics at electrode–electrolyte interfaces” [J. Chem. Phys. 153, 134706 (2020)]
  5. Kinetics of lithium electrodeposition and stripping
  6. Design principles for self-forming interfaces enabling stable lithium-metal anodes
  7. Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries
  8. Marcus–Hush–Chidsey kinetics at electrode–electrolyte interfaces
  9. An accurate machine-learning calculator for optimization of Li-ion battery cathodes
  10. Uncertainty quantification of DFT-predicted finite temperature thermodynamic properties within the Debye model
  11. Quantifying robustness of DFT predicted pathways and activity determining elementary steps for electrochemical reactions
  12. Solvent Degradation in Nonaqueous Li-O2 Batteries: Oxidative Stability versus H-Abstraction
  13. Identifying Descriptors for Solvent Stability in Nonaqueous Li–O2 Batteries
  14. Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces
  15. Lithium and oxygen vacancies and their role in Li2O2charge transport in Li–O2batteries
  16. Cathode Electrochemistry in Nonaqueous Lithium Air Batteries
  17. Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode
  18. Climbing the Activity Volcano: Core–Shell Ru@Pt Electrocatalysts for Oxygen Reduction
  19. Unifying Solution and Surface Electrochemistry: Limitations and Opportunities in Surface Electrocatalysis
  20. Tunneling and Polaron Charge Transport through Li2O2 in Li–O2 Batteries
  21. Li–O2 Kinetic Overpotentials: Tafel Plots from Experiment and First-Principles Theory
  22. Unifying the 2e– and 4e– Reduction of Oxygen on Metal Surfaces
  23. Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides
  24. Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces
  25. Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts: In Situ XAS and DFT Study
  26. Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O2 Batteries
  27. First-Principles Based Analysis of the Electrocatalytic Activity of the Unreconstructed Pt(100) Surface for Oxygen Reduction Reaction
  28. Monte Carlo-Based Approach for Simulating Nanostructured Catalytic and Electrocatalytic Systems
  29. Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)
  30. Theoretical analysis of the effect of particle size and support on the kinetics of oxygen reduction reaction on platinum nanoparticles
  31. Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries
  32. First-principles-based Reaction Kinetics Model for Oxygen Reduction Reaction on Pt