All Stories

  1. Adsorption mechanisms of ethanol, propanal, butanone, and benzene on the monolayer WS₂ Surface: Insights from non-local van der Waals density functional theory
  2. High-temperature behavior at 100 ℃ of nanoporous copper-metal-organic framework for strong duration symmetrical solid-state supercapacitors
  3. Heterogeneous 2D/2D MnO2/MXene catalyst for nitrate-to-ammonia electrochemical reduction and Zn-nitrate battery behavior
  4. Graphene/hexagonal boron nitride heterostructure: A promising material for ammonia gas sensing devices in humid environments
  5. First principles unveiling the metallic TaS2/GeC heterostructure as an anode material in sodium-ion batteries
  6. Electric field-driven the electronic properties and contact behavior of the metal/semiconductor NbS2/Sc2CF2 heterostructure
  7. Enhanced sodium-ion intercalation and migration in boron/carbon-doped WS2/graphene bilayers: insights from electronic structure calculations
  8. Resolving adsorption mechanism of sodium polysulfides on Tim+1CmO2 MXenes for application in sodium-sulfur batteries: A first-principles study
  9. Computational fluid dynamics analysis of airflow patterns around rotating cylinders in the drafting system of a vortex spinning machine
  10. Spent Zinc–Carbon Battery-Derived Carbon Nanoparticles Coupled with Transition Metal Dichalcogenides for Enhanced pH-Universal Hydrogen Evolution Reaction
  11. Optoelectronic Properties of Nitrogen-Doped Hexagonal Graphene Quantum Dots: A First-Principles Study
  12. Adsorption behavior of formaldehyde gas on two-dimensional semiconductor monolayers MS2 (M=W, Mo)
  13. Adsorption of cadmium selenide clusters: A novel approach to enhance solar energy conversion using armchair graphene nanoribbons
  14. Graphene as a Sensor for Lung Cancer: Insights into Adsorption of VOCs Using vdW DFT
  15. Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbon anodes in lithium-ion batteries
  16. Band valley flattening and exciton appearance/disappearance under isotropic strain in monolayer WS2
  17. Band valley modification under strain in monolayer WSe2
  18. The Nonlinear Decrement in Static Permittivity of Electrolytes in High-Polarity Solvents
  19. Microscopic approach for low-frequency dielectric constant of liquid water