All Stories

  1. Nanoscale dielectric capacitor using T-graphene
  2. Synthesis, mesophase behavior, and computational studies of dimers composed of three-ring rod-shaped ester-imine linkage monomeric unit
  3. Bandgap prediction of non-metallic crystals through machine learning approach
  4. Density Functional Theory Studies of van der Waals Heterostructures Comprised of MoSi2P4 and BAs Monolayers for Solar Cell Applications
  5. Foreword for the Festschrift on the occasion of the 65th birthday of Professor Pratim Kumar Chattaraj
  6. Density functional theory study of the electronic and optical properties of pentagraphyne nanotubes
  7. Aromatic Superatoms
  8. Favipiravir drug molecule adsorbed graphyne as a promising drug delivery vehicle for anti-viral treatment
  9. On the study of dye-sensitized solar cells with high light harvesting efficiency and correlation of its chemical reactivity parameters with overall performance
  10. Yttrium decorated fullerene C30 as potential hydrogen storage material: Perspectives from DFT simulations
  11. Mononuclear photoluminescent salicylaldimato copper(II) complex: synthesis, characterization, mesomorphic investigation and DFT study
  12. Reactivity of diamanes against oxidation: A DFT study
  13. Copper decorated graphyne as a promising nanocarrier for cisplatin anti-cancer drug: A DFT study
  14. Chemical reactivity in confined environment
  15. Bilayer CdS Structure: A Promising Candidate for Photocatalytic and Optoelectronic Applications
  16. Thermoelectric properties of pentagraphene
  17. Designing of PC31BM‐based acceptors for dye‐sensitized solar cell
  18. MoSe2/multiwalled carbon nanotube composite for ammonia sensing in natural humid environment
  19. Two-Dimensional Pentagraphyne as a High-Performance Anode Material for Li/Na-Ion Rechargeable Batteries
  20. High capacitance twin‐graphene anode material for magnesium ion battery
  21. Highly Selective Ethyl Mercaptan Sensing Using a MoSe2/SnO2 Composite at Room Temperature
  22. Photophysical investigation of a donor-acceptor based Schiff base in solvents of varying polarities
  23. Electronic and transport property of two-dimensional boron phosphide sheet
  24. A new N2O2-donor compartmental Schiff base ligand and its cadmium(II) complex: synthesis, mesogenic and photoluminescent properties
  25. Solvent Effects on the Photophysical Properties of a Donor–acceptor Based Schiff Base
  26. Selective N,N-Dimethylformamide Vapor Sensing Using MoSe2/Multiwalled Carbon Nanotube Composites at Room Temperature
  27. Transition metal doped fullerene C20: A promising hydrogen storage device
  28. Boron-phosphorous doped graphyne: A near-infrared light absorber
  29. Foreword for the Festschrift on the occasion of the 60th birthday of Professor Pratim Kumar Chattaraj
  30. Influence of noble gas atoms on B12N12 fullerene: A DFT study
  31. Donor-acceptor decorated graphyne: A promising candidate for nonlinear optical application
  32. Theoretical investigation of electronic, vibrational, and nonlinear optical properties of 4-fluoro-4-hydroxybenzophenone
  33. A first principle study of phosphorous doped graphyne
  34. Electron transport property of tetrathiafulvalene molecule
  35. Confinement of water molecule inside (2, 2) graphyne nanotube
  36. First principle study of sodium decorated graphyne
  37. Graphyne as UV light protector
  38. Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes
  39. Electron transport property of cobalt-centered porphyrin-armchair graphene nanoribbon (AGNR) junction
  40. A first principle study of pristine and BN-doped graphyne family
  41. Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor
  42. A computational study of armchair nanotube
  43. Electrophilicity Index
  44. Electrophilicity Index