All Stories

  1. Insertion of a naphthalenediimide unit in a metal-free donor–acceptor organic sensitizer for efficiency enhancement of a dye-sensitized solar cell
  2. Two-Dimensional Boron Hydride Sheets: High Stability, Massless Dirac Fermions, and Excellent Mechanical Properties
  3. Two-Dimensional Boron Hydride Sheets: High Stability, Massless Dirac Fermions, and Excellent Mechanical Properties
  4. Graphene-like Two-Dimensional Ionic Boron with Double Dirac Cones at Ambient Condition
  5. Predicting a new phase (T′′) of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition
  6. A non-fullerene electron acceptor based on central carbazole and terminal diketopyrrolopyrrole functionalities for efficient, reproducible and solution-processable bulk-heterojunction devices
  7. Naphthalene diimide-based non-fullerene acceptors for simple, efficient, and solution-processable bulk-heterojunction devices
  8. A four-directional non-fullerene acceptor based on tetraphenylethylene and diketopyrrolopyrrole functionalities for efficient photovoltaic devices with a high open-circuit voltage of 1.18 V
  9. Significant Improvement of Optoelectronic and Photovoltaic Properties by Incorporating Thiophene in a Solution-Processable D–A–D Modular Chromophore
  10. Single Layer Bismuth Iodide: Computational Exploration of Structural, Electrical, Mechanical and Optical Properties
  11. Isoindigo-Based Small Molecules with Varied Donor Components for Solution-Processable Organic Field Effective Transistor Devices
  12. Crowning of dibenzosilole with a naphthalenediimide functional group to prepare an electron acceptor for organic solar cells
  13. Chemically Altering the Solubility and Durability of Dyes for Sensitized Solar Cells
  14. Conjoint use of Dibenzosilole and Indan-1,3-dione Functionalities to Prepare an Efficient Non-Fullerene Acceptor for Solution-Processable Bulk-Heterojunction Solar Cells
  15. Small molecules containing rigidified thiophenes and a cyanopyridone acceptor unit for solution-processable bulk-heterojunction solar cells
  16. An Electron-Accepting Chromophore Based on Fluorene and Naphthalenediimide Building Blocks for Solution-Processable Bulk Heterojunction Devices
  17. Prediction of novel alloy phases of Al with Sc or Ta
  18. New organic sensitizers using 4-(cyanomethyl)benzoic acid as an acceptor group for dye-sensitized solar cell applications
  19. Improvement of optoelectronic and photovoltaic properties through the insertion of a naphthalenediimide unit in donor–acceptor oligothiophenes
  20. Symmetrical and unsymmetrical donor–acceptor–donor organic dyes: Design, synthesis and characterization. Engineering panchromic absorbance
  21. A solution-processable electron acceptor based on diketopyrrolopyrrole and naphthalenediimide motifs for organic solar cells
  22. Novel organic sensitizer based on directly linked oligothiophenes to donor nitrogen atom for efficient dye-sensitized solar cells
  23. Aggregation of a Dibenzo[b,def]chrysene Based Organic Photovoltaic Material in Solution
  24. Donor–Acceptor–Donor Modular Small Organic Molecules Based on the Naphthalene Diimide Acceptor Unit for Solution-Processable Photovoltaic Devices
  25. Conformational transitions and dynamics of thermal responsive poly(N-isopropylacrylamide) polymers as revealed by molecular simulation
  26. N-Alkyl- and N-aryl-dithieno[3,2-b:2′,3′-d]pyrrole-containing organic dyes for efficient dye-sensitized solar cells
  27. N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs
  28. A non-fullerene electron acceptor based on fluorene and diketopyrrolopyrrole building blocks for solution-processable organic solar cells with an impressive open-circuit voltage
  29. A diketopyrrolopyrrole and benzothiadiazole based small molecule electron acceptor: design, synthesis, characterization and photovoltaic properties
  30. Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study
  31. Cyanomethylbenzoic Acid: An Acceptor for Donor–π–Acceptor Chromophores Used in Dye‐Sensitized Solar Cells
  32. Anomalous length dependence of the conductance of graphene nanoribbons with zigzag edges
  33. Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure–property correlation
  34. The impact of tetrahedral capping groups and device processing conditions on the crystal packing, thin film features and OFET hole mobility of 7,14-bis(ethynyl)dibenzo[b,def]chrysenes
  35. Molecular engineering for panchromatic absorbing oligothiophene donor–π–acceptor organic semiconductors
  36. Anomalous length dependence of conductance of aromatic nanoribbons with amine anchoring groups
  37. Erratum: From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport [Phys. Rev. B 84 , 205436 (2011)]
  38. Absorption enhancement of oligothiophene dyes through the use of a cyanopyridone acceptor group in solution-processed organic solar cells
  39. From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport
  40. Photo-spectroscopic properties of benzothiadiazole-containing pendant polymers for photovoltaic applications
  41. Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence
  42. Ground state structure of BaZrO 3 : A comparative first-principles study
  43. Simulation of proton diffusion in In-doped CaZrO3
  44. Chemisorption of Molecular Hydrogen on Carbon Nanotubes: A Route to Effective Hydrogen Storage?
  45. Chemisorbed and Physisorbed Structures for 1,10-Phenanthroline and Dipyrido[3,2-a:2‘,3‘-c]phenazine on Au(111)
  46. The Green's Function Density Functional Tight-Binding (gDFTB) Method for Molecular Electronic Conduction
  47. Proton Mobility in the In-Doped CaZrO3 Perovskite Oxide
  48. The Nature of the Adsorption of Nucleobases on the Gold [111] Surface
  49. Adsorption of Benzene on Copper, Silver, and Gold Surfaces
  50. FUNCTIONALIZATION OF SEMICONDUCTOR SURFACES BY ORGANIC LAYERS: CONCERTED CYCLOADDITION VERSUS STEPWISE FREE-RADICAL REACTION MECHANISMS
  51. What Determines the Sticking Probability of Water Molecules on Ice?
  52. Molecular Electronics: From Basic Chemical Principles to Photosynthesis to Steady-State Through-Molecule Conductivity to Computer Architectures
  53. The Appropriateness of Density‐Functional Theory for the Calculation of Molecular Electronics Properties
  54. Adsorption of Pyridine on the Gold(111) Surface:  Implications for “Alligator Clips” for Molecular Wires
  55. Embedded atom method study of surface-confined Al on Ni(001)
  56. EMBEDDED ATOM METHOD STUDY OF SURFACE ALLOYING OF Al ON Pd(001)
  57. Embedded Atom Method Study of Pd Thin Films on Cu(001)
  58. Reinvestigation of the surface reconstruction of Cu(001)-(2 × 2)p4g-Pd
  59. Multiphonon atom-surface scattering in the collision system He → Cu(001)
  60. Energy dissipation of fast neutral beams scattered at glancing angles from crystal surfaces
  61. Multiphonon He atom scattering in collisions
  62. Quantum versus semiclassical treatment of multiphonon effects in He-atom scattering from surfaces
  63. Energy dissipation of fast neutral argon and helium scattered at glancing incidence from Al(111)
  64. Constructive interference effects in energy loss spectra of energetic noble gas ions and atoms incident at glancing incidence to metal surfaces