All Stories

  1. Nanoscale Room-Temperature Na Dynamics in Layered Ruthenates Na1RuO3 and Na1.5RuO3
  2. Insights into One-Dimensional Thermoelectric Materials: A Concise Review of Nanowires and Nanotubes
  3. Metal–Support Interaction in Pt Nanodisk–Carbon Nitride Catalyst: Insight from Theory and Experiment
  4. Stability Trends in Mono-Metallic 3d Layered Double Hydroxides
  5. In situ Blue titania via band shape engineering for exceptional solar H2 production in rutile TiO2
  6. Low thermal conductivity: fundamentals and theoretical aspects in thermoelectric applications
  7. Bispropylurea bridged polysilsesquioxane: A microporous MOF-like material for molecular recognition
  8. Exceptionally stable green rust, a mixed-valent iron-layered double hydroxide, as an efficient solar photocatalyst for H2 production from ammonia borane
  9. Hard-templated metal–organic frameworks for advanced applications
  10. Hf doping for enhancing the thermoelectric performance in layered Na0.75CoO2
  11. Three-dimensional bone printing using hydroxyapatite-PLA composite
  12. Cu-Modified SrTiO3Perovskites Toward Enhanced Water–Gas Shift Catalysis: A Combined Experimental and Computational Study
  13. A review of recent progress in thermoelectric materials through computational methods
  14. Role of knock-on in electron beam induced etching of diamond
  15. Carbamate-Isocyanurate-Bridged Periodic Mesoporous Organosilica for van der Waals CO2 Capture
  16. High-Performance Thermoelectric Oxides Based on Spinel Structure
  17. Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4
  18. Organosiloxane tunability in mesoporous organosilica and punctuated Pd nanoparticles growth; theory and experiment
  19. Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants
  20. Possible high-potential ilmenite type Na1M<...
  21. Assembly of cerium-based coordination polymer into variant polycrystalline 2D–3D CeO2−x nanostructures
  22. Pd Nanoalloys for H2 Generation from Formic Acid
  23. Coordination Polymer to Atomically Thin, Holey, Metal‐Oxide Nanosheets for Tuning Band Alignment
  24. Understanding the interactions of water with ceria surfaces
  25. Covalency a Pathway for Achieving High Magnetisation in TMFe2O4Compounds
  26. Mesoporous SBA-15/PIDA as a Dendrimer Zwitterionic Amino Acid-Type Organocatalyst for Three-Component Indazolophtalazine Synthesis
  27. Au quantum dots engineered room temperature crystallization and magnetic anisotropy in CoFe2O4 thin films
  28. Oxygen Redox Promoted by Na Excess and Covalency in Hexagonal and Monoclinic Na2−xRuO3 Polymorphs
  29. Template-oriented synthesis of hydroxyapatite nanoplates for 3D bone printing
  30. Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co9S8 and Co3S4 Low-Index Surfaces
  31. Dominant role of orbital splitting in determining cathode potential in O3 NaTMO2 compounds
  32. High-performance Na ion cathodes based on the ubiquitous and reversible O redox reaction
  33. Oxygen redox in hexagonal layered NaxTMO3 (TM = 4d elements) for high capacity Na ion batteries
  34. The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO2 compounds (TM = Ti–Ni & Zr–Pd)
  35. Magnetic, electrochemical and thermoelectric properties of P2-...
  36. Native point defects in Ti3GeC2 and Ti2GeC
  37. Magnetism and spin entropy in Ru doped Na0.5CoO2
  38. The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO2: A theoretical study
  39. Restoration of long range order of Na ions in NaxCoO2 at high temperatures by sodium site doping
  40. Sodium Cobaltate Engineered with Alkaline Earth Metal Doping for Waste Energy Harvesting; a Theoretical Study
  41. Interplay between magnetism and Na concentration in NaxCoO2
  42. Dopant incorporation site in sodium cobaltate's host lattice: a critical factor for thermoelectric performance
  43. High-density polyethylene degradation into low molecular weight gases at 1823 K: An atomistic simulation
  44. Polymers’ surface interactions with molten iron: A theoretical study
  45. Critical role of Fock exchange in characterizing dopant geometry and magnetic interaction in magnetic semiconductors
  46. Recycling End-of-Life Polycarbonate in Steelmaking: Ab Initio Study of Carbon Dissolution in Molten Iron
  47. Theoretical study on copper's energetics and magnetism in TiO2 polymorphs
  48. Ferromagnetism in ZnO:Co originating from a hydrogenated Co–O–Co complex
  49. Selecting the suitable dopants: electronic structures of transition metal and rare earth doped thermoelectric sodium cobaltate
  50. Giant stability of substituent Co chains in ZnO:Co dilute magnetic oxides
  51. Processing dependence of structural and physical properties of Mg2Ge thin films prepared by pulsed laser deposition
  52. First-principles investigation of electrical and magnetic properties of ZnO based diluted magnetic semiconductors codoped with H
  53. Ab initio study of phase stability in doped TiO2
  54. Immobilization of Na Ions for Substantial Power Factor Enhancement: Site-Specific Defect Engineering in Na0.8CoO2
  55. Weak d magnetism in C and N doped ZnO
  56. Structural and electronic properties of Eu- and Pd-doped ZnO
  57. Structural and magnetic stability of dopants in ZnO-based dilute magnetic semiconductors
  58. Intrinsic ambient ferromagnetism in ZnO:Co induced by Eu codoping
  59. The role of unintentional hydrogen on magnetic properties of Co doped ZnO
  60. The feeble role of oxygen vacancies in magnetic coupling in ZnO based dilute magnetic semiconductors
  61. Predominant role of defects in magnetic interactions in codoped ZnO:Co
  62. Hydrogen multicenter bond mediated magnetism in Co doped ZnO
  63. Enhancement of Co substitution induced by Eu codoping in ZnO-based diluted magnetic semiconducting thin films
  64. N codoping induced ferromagnetism in ZnO:Co (101¯) thin films
  65. Subtle interplay between native point defects and magnetism in ZnO:Co
  66. Substantial stabilization of ferromagnetism in ZnO:Mn induced by N codoping
  67. Isolation and aggregation of substituent Co in ZnO:Co diluted magnetic semiconductors
  68. First-principles calculations of enhanced ferromagnetism in ZnO codoped with cobalt and nitrogen